SCHEMBL792862

SCHEMBL792862

CCCCCNc1nc(C(=O)N(C)OC)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
STAT1 P42224 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
PLA2G4A P47712 1/20 0.38
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
PDE5A O76074 1/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL725129 0.80 PLA2G4A (0.57) MAPTALDH1A1NPC1STAT1RAB9A
SCHEMBL2880127 0.79 MAPT (0.51) MAPTALDH1A1NPC1STAT1RAB9A
SCHEMBL10467225 0.79 PLA2G4A (0.59) MAPTALDH1A1NPC1STAT1RAB9A
SCHEMBL10465516 0.77 CYP1A2 (0.64) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL16638093 0.76 L3MBTL1 (0.49) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL29598561 0.74 CYP1A2 (0.41) MAPTALDH1A1NPC1STAT1RAB9A
SCHEMBL30888381 0.73 CYP1A2 (0.40) ALDH1A1NPC1RAB9ACYP1A2CYP2C19
SCHEMBL29597590 0.73 CYP1A2 (0.40) ALDH1A1NPC1RAB9ACYP1A2CYP2C19
SCHEMBL29597771 0.73 CYP1A2 (0.42) ALDH1A1NPC1RAB9ACYP1A2CYP2C19
SCHEMBL724465 0.72 MAPT (0.54) MAPTALDH1A1NPC1RAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
EP-2608671-B1 COMPOUNDS FOR TREATMENT OF CANCER GTX INC (US) 2018-12-12 EP disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-9447049-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-09-20 US disclosed
EP-3064204-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx, Inc. (US) 2016-09-07 EP disclosed
US-9334242-B2 Compounds for treatment of cancer GTX, INC. (US) 2016-05-10 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
EP-2542081-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-01-09 EP disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed
WO-2011109059-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2011-09-09 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 (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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 MAPT 2614/4885ALDH1A1 209/4885NPC1 1453/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 MAPT 2614/4885ALDH1A1 209/4885NPC1 1453/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 MAPT 2614/4885ALDH1A1 209/4885NPC1 1453/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 MAPT 2614/4885ALDH1A1 209/4885NPC1 1453/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 MAPT 2614/4885ALDH1A1 209/4885NPC1 1453/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 MAPT 2614/4885ALDH1A1 209/4885NPC1 1453/4885

“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.