SCHEMBL2692071

SCHEMBL2692071

CC(=O)Nc1nc2c(s1)C(=O)C(C(=O)c1cccnc1)OC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.46
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
PIK3CA P42336 4/20 0.43
MAPT P10636 4/20 0.42
ATAD2 Q6PL18 1/20 0.39
CHRM5 P08912 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
SCD O00767 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 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
SCHEMBL2690832 0.83 OGA (0.38) PIK3CGPIK3CAMAPTADORA2AADORA1
SCHEMBL798617 0.82 PIK3CG (0.49) PIK3CGALDH1A1KMT2ANPC1RAB9A
SCHEMBL4759715 0.82 PIK3CG (0.39) PIK3CGALDH1A1KMT2ANPC1RAB9A
SCHEMBL2688914 0.82 PIK3CG (0.46) PIK3CGALDH1A1KMT2ANPC1RAB9A
SCHEMBL2691595 0.81 PIK3CG (0.48) PIK3CGALDH1A1KMT2ANPC1RAB9A
SCHEMBL4759713 0.79 PIK3CG (0.35) PIK3CGNPC1RAB9APIK3CAMAPT
SCHEMBL2690337 0.75 LMNA (0.35) PIK3CGPIK3CAMAPTLMNAHPGD
SCHEMBL2689737 0.75 ALDH1A1 (0.42) PIK3CGALDH1A1NPC1RAB9APIK3CA
SCHEMBL2691004 0.74 LMNA (0.35) PIK3CGPIK3CAMAPTLMNAHPGD
SCHEMBL2690908 0.74 LMNA (0.38) PIK3CGALDH1A1NPC1RAB9APIK3CA

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
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
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
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US 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

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 PIK3CG 4396/4885ALDH1A1 51/4885KMT2A 1024/4885

“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.