SCHEMBL12811797

SCHEMBL12811797

O=C(NC1CC1)c1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.50
▸ SKP1 P63208 1/20 0.50
▸ SKP2 Q13309 1/20 0.50
▸ BMPR1B O00238 1/20 0.48
▸ BMPR1A P36894 1/20 0.48
▸ TGFBR1 P36897 1/20 0.48
▸ ACVRL1 P37023 1/20 0.48
▸ ACVR1 Q04771 1/20 0.48
▸ HPGDS O60760 4/20 0.47
▸ SMYD3 Q9H7B4 2/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ HSD11B1 P28845 2/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL1443006 0.93 CKS1B (0.45) CKS1BSKP1SKP2BMPR1BBMPR1A
SCHEMBL1443590 0.90 MAPK14 (0.50) CKS1BSKP1SKP2BMPR1BBMPR1A
SCHEMBL1442311 0.86 BMPR1B (0.47) CKS1BSKP1SKP2BMPR1BBMPR1A
SCHEMBL12812416 0.86 PIK3CA (0.47) CKS1BSKP1SKP2BMPR1BBMPR1A
SCHEMBL1442549 0.86 PIK3CA (0.47) PIK3CAKCNH2HRH3HPGD
SCHEMBL12812066 0.85 ATM (0.46) NPC1MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL12811789 0.84 STK17A (0.49) PIK3CAKCNH2HRH3STK17AHPGD
SCHEMBL12811787 0.82 HTR2C (0.51) NPC1RAB9AKMT2ASMN1; SMN2HPGD
SCHEMBL1442584 0.82 HPGD (0.58) PIK3CAHRH3HPGD
SCHEMBL1443341 0.82 PIK3CA (0.47) PIK3CAHPGD

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 CKS1B 342/4885SKP1 270/4885SKP2 24/4885

“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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