SCHEMBL10179687

SCHEMBL10179687

O=C(Cc1ccccc1Cl)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ KCNJ5 P48544 2/20 0.42
▸ KCNJ3 P48549 2/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ CAMK2D Q13557 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ STK17A Q9UEE5 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NR1I2 O75469 1/20 0.41

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
SCHEMBL27865682 0.90 HTR1A (0.41) KDM4EMAPTSMN1; SMN2HTR1ADRD2
SCHEMBL1443193 0.90 MAPT (0.46) KDM4EMAPTHSD17B10ROCK2HTR1A
SCHEMBL1442780 0.90 F2 (0.44) KDM4EMAPTSMN1; SMN2HTR1ADRD2
SCHEMBL1442495 0.88 HTR1A (0.52) KDM4EMAPTSMN1; SMN2HSD17B10HTR1A
SCHEMBL10178956 0.88 MAPT (0.55) KDM4EMAPTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL10179432 0.88 HCRTR1 (0.41) KDM4EMAPTHTR1ADRD2ALDH1A1
SCHEMBL1443398 0.87 HTR1A (0.54) KDM4EMAPTSMN1; SMN2HTR1ADRD2
SCHEMBL1443199 0.86 MAPT (0.52) KDM4EMAPTSMN1; SMN2HSD17B10HTR1A
SCHEMBL1442833 0.86 HTR1A (0.52) KDM4EMAPTSMN1; SMN2ROCK2HTR1A
SCHEMBL10179359 0.86 KCNQ2 (0.55) KDM4EMAPTROCK2HTR1ADRD2

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
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

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 KDM4E 932/4885MAPT 1296/4885SMN1; SMN2 2189/4885

“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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