SCHEMBL1442790

SCHEMBL1442790

Cc1ccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ ATM Q13315 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ HRH4 Q9H3N8 3/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HCRTR1 O43613 3/20 0.39
▸ HCRTR2 O43614 3/20 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
SCHEMBL1442673 0.90 KCNH2 (0.48) PIK3CASMN1; SMN2NPSR1MAPTLMNA
SCHEMBL1442803 0.88 CNR2 (0.47) PIK3CASMN1; SMN2NPSR1MAPTNPC1
SCHEMBL1443038 0.88 PIK3CA (0.55) PIK3CASMN1; SMN2NPSR1MAPTLMNA
SCHEMBL1442527 0.87 CNR2 (0.43) PIK3CASMN1; SMN2NPSR1MAPTNPC1
SCHEMBL1442356 0.85 MAPT (0.52) PIK3CASMN1; SMN2NPSR1MAPTLMNA
SCHEMBL1442213 0.85 PIK3CA (0.48) PIK3CASMN1; SMN2NPSR1MAPTLMNA
SCHEMBL1443358 0.85 PTPN11 (0.47) PIK3CASMN1; SMN2NPSR1MAPTNPC1
SCHEMBL27882121 0.83 PIK3CA (0.44) PIK3CASMN1; SMN2NPSR1MAPTLMNA
SCHEMBL12811790 0.82 PIK3CA (0.52) PIK3CANPC1RAB9ACNR2MEN1
SCHEMBL12812452 0.82 PIK3CA (0.54) PIK3CASMN1; SMN2NPSR1MAPTLMNA

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 11 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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP claimed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO 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 181/4885SMN1; SMN2 2189/4885NPSR1 2596/4885

“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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