SCHEMBL1441988

SCHEMBL1441988

O=C(CCc1ccccc1)Nc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ TOP2A P11388 1/20 0.47
▸ TOP2B Q02880 1/20 0.47
▸ HTR1A P08908 4/20 0.47
▸ DRD2 P14416 4/20 0.47
▸ SLC2A1 P11166 1/20 0.46
▸ ROCK2 O75116 1/20 0.45
▸ NPY5R Q15761 1/20 0.45
▸ MCHR1 Q99705 5/20 0.43
▸ MMP2 P08253 3/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ MMP8 P22894 3/20 0.43
▸ MMP13 P45452 3/20 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
SCHEMBL1442426 0.96 MCHR1 (0.45) MAPTNPC1SMN1; SMN2LMNATOP2A
SCHEMBL10179617 0.95 HTR1A (0.45) MAPTNPC1SMN1; SMN2LMNATOP2A
SCHEMBL10179345 0.93 HTR1A (0.44) MAPTNPC1SMN1; SMN2LMNAHTR1A
SCHEMBL1442495 0.91 HTR1A (0.52) MAPTNPC1SMN1; SMN2HTR1ADRD2
SCHEMBL1442793 0.90 MAPT (0.48) MAPTNPC1SMN1; SMN2LMNATOP2A
SCHEMBL1443398 0.89 HTR1A (0.54) MAPTNPC1SMN1; SMN2HTR1ADRD2
SCHEMBL1443875 0.88 BRAF (0.42) MAPTNPC1SMN1; SMN2MCHR1
SCHEMBL1443446 0.87 BRAF (0.41) MAPTNPC1SMN1; SMN2LMNAMCHR1
SCHEMBL1443104 0.87 DRD2 (0.48) MAPTNPC1SMN1; SMN2TOP2ATOP2B
SCHEMBL1442001 0.86 HTT (0.46) MAPTNPC1SMN1; SMN2MCHR1

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
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 MAPT 1296/4885NPC1 4167/4885SMN1; 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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