SCHEMBL12812416

SCHEMBL12812416

O=C(NC1CC1)c1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.47
▸ BMPR1B O00238 1/20 0.45
▸ BMPR1A P36894 1/20 0.45
▸ TGFBR1 P36897 1/20 0.45
▸ ACVRL1 P37023 1/20 0.45
▸ ACVR1 Q04771 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD11B1 P28845 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MELK Q14680 3/20 0.41
▸ F9 P00740 1/20 0.41
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40

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
SCHEMBL1442311 0.92 BMPR1B (0.47) PIK3CABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1441754 0.91 PIK3CA (0.48) PIK3CABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1442924 0.90 PIK3CD (0.48) PIK3CABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1442934 0.87 PIK3CA (0.49) PIK3CAHPGDPIK3CBMTORPIK3CG
SCHEMBL12811797 0.86 CKS1B (0.50) PIK3CABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1442877 0.83 PIK3CA (0.48) PIK3CABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL1443006 0.80 CKS1B (0.45) PIK3CABMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL12812066 0.80 ATM (0.46) PIK3CANPC1RAB9AHPGDMEN1
SCHEMBL1441753 0.78 PIK3CA (0.53) PIK3CANPC1RAB9AHPGDPIK3CB
SCHEMBL1442582 0.77 MTOR (0.50) PIK3CARAB9AHPGDPIK3CBMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US claimed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US claimed
CN-102596932-A Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER SCHERING PHARMA AG 2012-07-18 — — CN claimed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-9340528-B2 Substituted aminoquinoxalines as tyrosine threonine kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-17 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — 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-20120263708-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS ABL1, TYK2, JAK2 PIK3CA 181/4885BMPR1B 3596/4885BMPR1A 4317/4885

“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.

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