SCHEMBL1443163

SCHEMBL1443163

O=C(Nc1ccc(-c2ccc3ncc(N4CCN(c5cnccn5)CC4)nc3c2)cc1)C1CCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.59
▸ KDM4E B2RXH2 3/20 0.58
▸ MAPT P10636 2/20 0.56
▸ TP53 P04637 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ KMT2A Q03164 2/20 0.55
▸ POLB P06746 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ THRB P10828 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL1443667 0.98 RXFP1 (0.59) RXFP1KDM4EMAPTTP53LMNA
SCHEMBL10181264 0.89 GBA1 (0.47) RXFP1KDM4EMAPTTP53LMNA
SCHEMBL13276298 0.88 RXFP1 (0.49) RXFP1KDM4EMAPTTP53LMNA
SCHEMBL1442707 0.87 GBA1 (0.47) RXFP1KDM4EMAPTTP53LMNA
SCHEMBL1442445 0.86 GBA1 (0.49) RXFP1KDM4EMAPTTP53LMNA
SCHEMBL1443154 0.85 MAPT (0.48) RXFP1KDM4EMAPTTP53LMNA
SCHEMBL1443453 0.85 GBA1 (0.46) RXFP1KDM4EMAPTTP53LMNA
SCHEMBL10179266 0.84 OPRD1 (0.48) KDM4EMAPTTP53LMNAKMT2A
SCHEMBL1442827 0.83 GBA1 (0.61) KDM4EMAPTTP53NPC1RAB9A
SCHEMBL10179264 0.83 KARS1 (0.47) RXFP1KDM4EMAPTTP53LMNA

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 8 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-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

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 RXFP1 1720/4885KDM4E 932/4885MAPT 1296/4885

“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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