SCHEMBL10127120

SCHEMBL10127120

CSc1nc(Nc2ccc3c(c2)C(=O)NCC3)c(C(N)=O)c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 5/20 0.39
▸ PARP10 Q53GL7 5/20 0.39
▸ F7 P08709 1/20 0.39
▸ F3 P13726 1/20 0.39
▸ XDH P47989 5/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.36
▸ WEE1 P30291 1/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ JAK2 O60674 1/20 0.34

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
SCHEMBL17340295 0.91 PARP1 (0.38) PARP1PARP10F7F3XDH
SCHEMBL10127092 0.82 PARP1 (0.43) PARP1PARP10F7F3MKNK1
SCHEMBL10127107 0.77 PDE4B (0.43) XDHMKNK1CCNA2CDK2SYK
SCHEMBL10157871 0.77 MKNK1 (0.45) PARP1PARP10F7F3MKNK1
SCHEMBL10128342 0.76 SYK (0.36) PARP1PARP10F7F3MKNK1
SCHEMBL10127269 0.76 GFER (0.43) XDHSYKGFERRXFP1JAK2
SCHEMBL10127056 0.75 GFER (0.47) XDHSYKGFERRXFP1
SCHEMBL10126560 0.74 XDH (0.42) XDHSLC22A12SYKGFERRXFP1
SCHEMBL10126487 0.74 XDH (0.44) XDHSLC22A12SYKGFERRXFP1
SCHEMBL10126689 0.74 PDE4B (0.45) XDHSYKGFERRXFP1

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-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 — — US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 — — US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 — — EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 — — US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 — — US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 — — US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 — — US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — US disclosed
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 — — 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 (2 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PARP1 1748/4885PARP10 667/4885F7 4099/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PARP1 1748/4885PARP10 667/4885F7 4099/4885

“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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