SCHEMBL10180104

SCHEMBL10180104

O=C(NCc1ccccc1)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.51
▸ KDM1A O60341 3/20 0.51
▸ JAK2 O60674 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MAP4K4 O95819 1/20 0.50
▸ CHEK2 O96017 1/20 0.50
▸ PRKCG P05129 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ FES P07332 1/20 0.50
▸ RET P07949 1/20 0.50
▸ ROS1 P08922 1/20 0.50
▸ FER P16591 1/20 0.50
▸ FLT1 P17948 1/20 0.50
▸ AXL P30530 1/20 0.50
▸ FLT4 P35916 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ IRAK1 P51617 1/20 0.50
▸ LIMK1 P53667 1/20 0.50

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
SCHEMBL1442481 0.93 HPGD (0.53) HDAC1KDM1AJAK2MAPK1MAP4K4
SCHEMBL1442696 0.93 ALDH1A1 (0.52) HDAC1KDM1AJAK2MAPK1MAP4K4
SCHEMBL12811795 0.91 JAK2 (0.52) JAK2MAPK1MAP4K4CHEK2PRKCG
SCHEMBL12812024 0.86 NPC1 (0.57) MAPK1SCN9AALDH1A1
SCHEMBL10180165 0.85 ROCK1 (0.47) JAK2MAPK1MAP4K4CHEK2PRKCG
SCHEMBL1442553 0.85 ATR (0.50) MAPK1SCN9A
SCHEMBL1442462 0.84 PIK3CA (0.51) MAPK1ALDH1A1
SCHEMBL12812421 0.84 MTOR (0.45) MAPK1ALDH1A1
SCHEMBL12812436 0.84 PIK3CA (0.56) MAP4K4
SCHEMBL1442852 0.84 PIK3CA (0.52) MAPK1ROCK1AURKB

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 9 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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP 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-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 HDAC1 4178/4885KDM1A 1201/4885JAK2 3/4885

“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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