SCHEMBL9962269

SCHEMBL9962269

CC(C)(C)c1ccnn(C(C)(C)C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
GPR183 P32249 1/20 0.35
RAB9A P51151 1/20 0.35
GPR35 Q9HC97 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.33
LMNA P02545 2/20 0.33
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
TSHR P16473 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2D6 P10635 2/20 0.32
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
ATM Q13315 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
SCHEMBL21186605 0.85 LMNA (0.31) MEN1KMT2ANPC1GALR3NR2F2
SCHEMBL14086054 0.78 CYP2C9 (0.38) MEN1KMT2ANPC1GALR3NR2F2
SCHEMBL782655 0.78 ALDH1A1 (0.36) KMT2ANPC1RAB9ACYP2C19CYP2D6
SCHEMBL23029069 0.76
SCHEMBL31139230 0.76 SMN1; SMN2 (0.39) MEN1KMT2ANPC1GALR3NR2F2
SCHEMBL19723236 0.73 ALDH1A1 (0.36) SMN1; SMN2CYP2C19CYP1A2ALDH1A1
SCHEMBL21186699 0.73 KMT2A (0.35) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14072340 0.73 SMN1; SMN2 (0.35) MEN1KMT2ANPC1GALR3NR2F2
SCHEMBL6762492 0.70 DRD1 (0.31) MEN1KMT2ACYP3A4CYP2C19CYP2D6
SCHEMBL2930358 0.67 ALDH1A1 (0.35) NPC1RAB9ASMN1; SMN2HPGDCYP1A2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 US disclosed
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs NORTHEASTERN UNIVERSITY 2017-07-27 US disclosed
US-9580400-B2 Cannabinergic nitrate esters and related analogs NORTHEASTERN UNIVERSITY (US) 2017-02-28 US disclosed
US-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-12-29 US disclosed
US-9428542-B2 Lupane triterpenoid derivatives and pharmaceutical use thereof JIANGXI QINGFENG PHARMACEUTICAL INC. (CN) 2016-08-30 US disclosed
US-9249146-B2 Bruton'S tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-02-02 US disclosed
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 US disclosed
US-20150011517-A1 LUPANE TRITERPENOID DERIVATIVES AND PHARMACEUTICAL USE THEREOF JIANGXI QINGFENG PHARMACEUTICAL INC. (CN) 2015-01-08 US disclosed
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2014-10-16 US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2012-06-21 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 (7 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-20160376281-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK MEN1 3176/4885KMT2A 1481/4885NPC1 4086/4885
US-20140309212-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK MEN1 3176/4885KMT2A 1481/4885NPC1 4086/4885
US-20150011517-A1 LUPANE TRITERPENOID DERIVATIVES AND PHARMACEUTICAL USE THEREOF LSS, FURIN, CYP51A1 MEN1 1700/4885KMT2A 4370/4885NPC1 94/4885
US-20160002195-A1 CANNABINERGIC NITRATE ESTERS AND RELATED ANALOGS CNR2, CNR1, CHRNB3 MEN1 3997/4885KMT2A 4178/4885NPC1 558/4885
US-20120157443-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK MEN1 3176/4885KMT2A 1481/4885NPC1 4086/4885
US-20170210728-A1 Cannabinergic Nitrate Esters And Related Analogs CNR2, CNR1, CHRNB3 MEN1 3997/4885KMT2A 4178/4885NPC1 558/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK MEN1 3176/4885KMT2A 1481/4885NPC1 4086/4885

“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.