SCHEMBL692338

SCHEMBL692338

CN(C)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 20/20 0.68
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
SMN1; SMN2 Q16637 6/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
KDM4E B2RXH2 5/20 0.61
HPGD P15428 4/20 0.61
HTT P42858 3/20 0.60
TP53 P04637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
PAX8 Q06710 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL10740158 0.91 ALDH1A1 (0.67) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL11173588 0.87 ALDH1A1 (0.63) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10641020 0.87 ALDH1A1 (0.62) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
Potassium Ion SCHEMBL10641291 0.86 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10986449 0.86 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10641070 0.86 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10641371 0.86 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10641192 0.86 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10641564 0.86 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL10641296 0.86 ALDH1A1 (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
EP-2421872-B1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
EP-2421872-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
US-4380640-A PLANT GROWTH REGULATORS; 7-OXO-BENZOTHIAZOL-2-YL-N-ALKYL UREA DERIVATIVES CIBA-GEIGY CORPORATION (US) 1983-04-19 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 (1 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-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 ALDH1A1 51/4885NPC1 414/4885RAB9A 1657/4885

“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.