Sugi Predict

Sugi Predict / Compounds / SCHEMBL612209

SCHEMBL612209

SCHEMBL612209

CC1(O)CCN(c2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.65
▸ POLB P06746 1/20 0.62
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CHRNB2 P17787 3/20 0.49
▸ CHRNA4 P43681 3/20 0.49
▸ CHRNB4 P30926 2/20 0.49
▸ CHRNA3 P32297 2/20 0.49
▸ SIRT6 Q8N6T7 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ TGM2 P21980 1/20 0.38

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
SCHEMBL4722950 0.92 MAPT (0.58) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL17054792 0.89 MAPT (0.68) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL1393073 0.86 MAPT (0.60) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL23104443 0.85 MAPT (0.60) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL18053948 0.84 MAPT (0.70) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL31303379 0.84 MAPT (0.62) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL21245532 0.84 MAPT (0.62) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL17054917 0.83 MAPT (0.68) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL21848367 0.83 MAPT (0.60) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL23089248 0.83 MAPT (0.60) MAPTPOLBRAB9ASMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 — — US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 — — US disclosed
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 — — CN disclosed
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 — — EP disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 — — WO disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 — — US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 — — US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 — — US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 — — US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 — — US disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 — — US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 — — US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 — — US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 — — EP disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 — — WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 — — US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 — — US 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 (6 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 MAPT 3390/4885POLB 921/4885RAB9A 1978/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 MAPT 3156/4885POLB 1065/4885RAB9A 2664/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 MAPT 3156/4885POLB 1065/4885RAB9A 2664/4885
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN MAPT 4109/4885POLB 2122/4885RAB9A 3106/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 MAPT 1236/4885POLB 1657/4885RAB9A 3462/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN MAPT 4109/4885POLB 2122/4885RAB9A 3106/4885

“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.