SCHEMBL16296349

SCHEMBL16296349

Nc1ccc(-c2cn3nc(N)nc3cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.44
KMT2A Q03164 5/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
PIK3CD O00329 5/20 0.39
PIK3CG P48736 5/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CA P42336 3/20 0.39
MAP4K4 O95819 1/20 0.39
PAK4 O96013 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
GRK5 P34947 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1A1 P48729 1/20 0.39
ACVR1 Q04771 1/20 0.39

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
SCHEMBL16296290 0.80 PTPN1 (0.39) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL30728843 0.77 CHEK1 (0.50) CHEK1MAP4K4PAK4CSF1RRET
SCHEMBL1933137 0.76 PIK3CG (0.52) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL16296161 0.75 PIK3CG (0.39) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL16295121 0.75 ATR (0.45) MAP4K4PAK4CSF1RRETGRK5
SCHEMBL16307654 0.73 MAP4K4 (0.45) MAP4K4
SCHEMBL16295257 0.73 MEN1 (0.50) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL16296345 0.73 KDM4E (0.48) KMT2ARAB9ANPC1TP53PIK3CG
SCHEMBL24656059 0.71 PIK3CG (0.43) MAPTPIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL16296223 0.70 MAP4K4 (0.37) PIK3CDPIK3CGPIK3CBPIK3CAMAP4K4

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 6 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
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 CHEK1 6/4885KMT2A 3729/4885RAB9A 1650/4885

“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.