SCHEMBL6217873

SCHEMBL6217873

CCOC(Cc1c(N)nc[nH]c1=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
TMIGD3 P0DMS9 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADORA1 P30542 1/20 0.31
PDE4A P27815 1/20 0.31
ADORA2A P29274 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9687495 0.74 MAPK1 (0.44) GAACDK1CDK2MAPTPKM
SCHEMBL7841194 0.73 KMT2A (0.40) HTTKDM4EGAAHPGDMAPT
SCHEMBL1001222 0.70 MTOR (0.32) MAPT
SCHEMBL22325340 0.69 ALDH1A1 (0.34) KDM4EHPGDLMNAALDH1A1
SCHEMBL28428691 0.65 KMT2A (0.40) HTTKDM4EGAARAB9AHPGD
SCHEMBL28642130 0.64 MTOR (0.35)
SCHEMBL9700257 0.64 KDM4E (0.44) KDM4EHPGDMAPT
SCHEMBL14434857 0.63 CYP1A2 (0.41) KDM4EGAARAB9AHPGDHSD17B10
SCHEMBL4455591 0.62
SCHEMBL13860620 0.62 MAPT (0.41) KDM4EGAARAB9AMAPTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059389-A1 PROCESS AND INTERMEDIATES FOR PREPARING A JAK INHIBITOR INCYTE CORPORATION 2023-02-23 US disclosed
US-20220056034-A1 PROCESS AND INTERMEDIATES FOR PREPARING A JAK1 INHIBITOR INCYTE CORPORATION 2022-02-24 US disclosed
US-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds INCYTE HOLDINGS CORPORATION 2021-08-19 US disclosed
US-10975085-B2 Process for preparing a composition comprising an enantiomeric excess of greater than or equal to 90% of the (R)-enantiomer of a compound of formula III INCYTE HOLDINGS CORPORATION (US) 2021-04-13 US disclosed
US-10364248-B2 Processes for preparing 4-chloro-7H-pyrrolo[2,3-d]pyrimidine INCYTE CORPORATION (US) 2019-07-30 US disclosed
US-9908888-B2 Processes for preparing pyrazolyl-substituted pyrrolo[2,3-d]pyrimidines INCYTE CORPORATION (US) 2018-03-06 US disclosed
US-20160257687-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2016-09-08 US disclosed
US-9290506-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2016-03-22 US disclosed
US-20150218174-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2015-08-06 US disclosed
US-9000161-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2015-04-07 US disclosed
US-8410265-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2013-04-02 US disclosed
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2010-07-29 US disclosed
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2010-07-29 US disclosed
EP-1244672-B1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2005-07-20 EP disclosed
US-6908930-B2 4-substituted 7-AZA-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. (US) 2005-06-21 US disclosed
US-20040053924-A1 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. 2004-03-18 US disclosed
US-6610688-B2 For therapy of blood vessel proliferative disorders; fibrotic disorders; mesangial cell proliferative disorders; metabolic disorders; allergies; asthma; thrombosis; nervous system diseases; and cancer SUGEN, INC. 2003-08-26 US disclosed
US-20020183319-A1 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors SUGEN, INC. 2002-12-05 US disclosed
EP-1244672-A1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-10-02 EP disclosed
WO-2001046196-A1 4-SUBSTITUTED 7-AZA-INDOLIN-2-ONES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040053924-A1 4-Substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors CDKN1A, CSNK1A1, CDK2 HTT 3686/4885KDM4E 209/4885GAA 1943/4885
US-20020183319-A1 4-substituted 7-aza-indolin-2-ones and their use as protein kinase inhibitors CDKN1A, CDK7, CDK2 HTT 3766/4885KDM4E 349/4885GAA 2267/4885
US-10975085-B2 Process for preparing a composition comprising an enantiomeric excess of greater than or equal to 90% of the (R)-enantiomer of a compound of formula III JAK1, JAK3, JAK2 HTT 4045/4885KDM4E 754/4885GAA 3224/4885
US-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds JAK3, JAK1, JAK2 HTT 4421/4885KDM4E 1425/4885GAA 3799/4885
US-20160257687-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 HTT 4421/4885KDM4E 1425/4885GAA 3799/4885
US-20150218174-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 HTT 4421/4885KDM4E 1425/4885GAA 3799/4885
US-20220056034-A1 PROCESS AND INTERMEDIATES FOR PREPARING A JAK1 INHIBITOR JAK1, JAK2, JAK3 HTT 2664/4885KDM4E 1757/4885GAA 3387/4885
US-10364248-B2 Processes for preparing 4-chloro-7H-pyrrolo[2,3-d]pyrimidine JAK1, JAK3, JAK2 HTT 3376/4885KDM4E 543/4885GAA 3569/4885
US-20230059389-A1 PROCESS AND INTERMEDIATES FOR PREPARING A JAK INHIBITOR JAK2, JAK1, JAK3 HTT 4068/4885KDM4E 904/4885GAA 2673/4885
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 HTT 4421/4885KDM4E 1425/4885GAA 3799/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.