SCHEMBL1443325

SCHEMBL1443325

O=C(NCc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ MAPK1 P28482 2/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ IMPDH2 P12268 1/20 0.47
▸ NAMPT P43490 10/20 0.46
▸ SLC6A7 Q99884 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MTOR P42345 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43

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
SCHEMBL1442679 0.88 WNT3A (0.47) MAPK1NAMPTSLC6A7LMNATP53
SCHEMBL1442852 0.87 PIK3CA (0.52) ROCK2ROCK1MAPK1AURKBNAMPT
SCHEMBL1442793 0.86 MAPT (0.48) ROCK2NAMPTSLC6A7LMNATP53
SCHEMBL1441684 0.85 SLC6A7 (0.51) MAPK1NAMPTSLC6A7LMNATP53
SCHEMBL1442321 0.83 KARS1 (0.49) SLC6A7LMNATP53MAPT
SCHEMBL10179961 0.83 LMNA (0.45) MAPK1SLC6A7LMNATP53MAPT
SCHEMBL13465302 0.83 HCAR2 (0.43) AURKBNAMPTSLC6A7LMNATP53
SCHEMBL1442316 0.82 RAD52 (0.51) MAPK1NAMPTSLC6A7LMNATP53
SCHEMBL1443250 0.81 KMT2A (0.44) NAMPTSLC6A7LMNATP53MAPT
SCHEMBL13465208 0.81 KDM4E (0.47) MAPK1NAMPTSLC6A7LMNATP53

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 12 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
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
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2012-07-11 — — EP disclosed
EP-2474355-A1 HYDROCARBON GAS REFORMING CATALYST, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING SYNTHETIC GAS Murata Manufacturing Co., Ltd. (JP) 2012-07-11 — — EP disclosed
WO-2011026579-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-10 — — WO 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 ROCK2 466/4885ROCK1 463/4885MAPK1 195/4885

“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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