SCHEMBL13277010

SCHEMBL13277010

CCN(CC)C(=O)c1cccc(-c2ccc3ncc(N4CCCCC4)nc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 10/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KDR P35968 1/20 0.43
▸ PIK3CA P42336 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ ACP1 P24666 1/20 0.40
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MET P08581 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38

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
SCHEMBL1442554 0.90 LRRK2 (0.47) HPGDALDH1A1LMNATSHRKDR
SCHEMBL13276227 0.90 PDE10A (0.44) HPGDPIK3CA
SCHEMBL12812439 0.86 MAP4K4 (0.50) HPGDKDRPIK3CAMAPTMET
SCHEMBL1442293 0.85 EGLN1 (0.47) HPGDALDH1A1PIK3CAPIM2
SCHEMBL1443528 0.84 HPGD (0.50) HPGDPIK3CAMETPIM2
SCHEMBL1442119 0.83 CDK8 (0.47) HPGDPIK3CAMAPT
SCHEMBL12812454 0.83 HPGD (0.53) HPGDALDH1A1PIK3CAMAPTNPC1
SCHEMBL10179394 0.83 HPGD (0.59) HPGD
SCHEMBL1442309 0.83 HPGD (0.59) HPGD
SCHEMBL10179288 0.82 MCHR1 (0.42) HPGDALDH1A1LMNATSHRMAPT

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
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

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 HPGD 2446/4885ALDH1A1 3857/4885LMNA 2221/4885

“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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