SCHEMBL16296381

SCHEMBL16296381

Nc1ccc(-c2ccc3nc(N)sc3c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.77
PI4KA P42356 11/20 0.77
PI4KB Q9UBF8 11/20 0.77
PIK3CD O00329 10/20 0.75
PIK3CG P48736 8/20 0.75
PIK3CB P42338 7/20 0.75
PIP5K1C O60331 4/20 0.75
ALKBH5 Q6P6C2 1/20 0.59
FTO Q9C0B1 1/20 0.59
MAPT P10636 3/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 3/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 2/20 0.59
GLA P06280 1/20 0.59
GFER P55789 2/20 0.58
HTT P42858 2/20 0.58
AXL P30530 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL29646253 0.92 PIK3CA (0.82) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL5532470 0.92 PIK3CA (0.82) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL8773471 0.87 PIK3CA (1.00) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL31114545 0.86 PIK3CA (1.00) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL9722748 0.86 PIK3CA (0.73) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL25303570 0.86 MAPT (0.74) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL3306309 0.86 PIK3CA (0.74) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL31114564 0.86 MAPT (0.74) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL25218319 0.86 PIK3CA (1.00) PIK3CAPI4KAPI4KBPIK3CDPIK3CG
SCHEMBL31114470 0.86 PIK3CA (0.73) PIK3CAPI4KAPI4KBPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
US-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
US-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-21 US disclosed
EP-3008061-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 EP disclosed
CN-105246891-A Novel compounds for the treatment of cancer Bayer Pharma AG 2016-01-13 CN disclosed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 WO disclosed
WO-2014198594-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 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-20160207928-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF CANCER BUB1B, PLK1, BRCA1 PIK3CA 23/4885PI4KA 239/4885PI4KB 110/4885

“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.