SCHEMBL13524670

SCHEMBL13524670

Cc1ccc(NC(=O)c2ccc(CN3CCNC(C)C3)cc2)cc1Nc1nccc(-c2cccnc2)n1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 16/20 0.83
▸ BCR P11274 13/20 0.83
▸ KIT P10721 12/20 0.83
▸ LRRK2 Q5S007 1/20 0.83
▸ PDGFRA P16234 10/20 0.77
▸ PDGFRB P09619 4/20 0.77
▸ ABL2 P42684 3/20 0.77
▸ EGFR P00533 2/20 0.77
▸ PLK4 O00444 1/20 0.77
▸ DDX3X O00571 1/20 0.77
▸ GAK O14976 1/20 0.77
▸ SLC22A2 O15244 1/20 0.77
▸ MAPK13 O15264 1/20 0.77
▸ CA12 O43570 1/20 0.77
▸ SLC22A3 O75751 1/20 0.77
▸ ABCB11 O95342 1/20 0.77
▸ CA1 P00915 1/20 0.77
▸ CA2 P00918 1/20 0.77
▸ LMNA P02545 1/20 0.77
▸ ALB P02768 1/20 0.77

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
SCHEMBL4411135 0.92 ABL1 (0.79) ABL1BCRKITLRRK2PDGFRA
SCHEMBL4411137 0.92 ABL1 (0.79) ABL1BCRKITLRRK2PDGFRA
SCHEMBL29410182 0.91 ABL1 (1.00) ABL1BCRKITLRRK2PDGFRA
SCHEMBL846536 0.91 ABL1 (1.00) ABL1BCRKITLRRK2PDGFRA
SCHEMBL31553098 0.90 ABL1 (0.94) ABL1BCRKITLRRK2PDGFRA
SCHEMBL18210953 0.88 ABL1 (0.83) ABL1BCRKITLRRK2PDGFRA
SCHEMBL4394539 0.88 ABL1 (0.88) ABL1BCRKITLRRK2PDGFRA
SCHEMBL4405514 0.88 ABL1 (1.00) ABL1BCRKITLRRK2PDGFRA
SCHEMBL3058299 0.88 ABL1 (0.86) ABL1BCRKITLRRK2PDGFRA
SCHEMBL12127861 0.88 ABL1 (0.90) ABL1BCRKITLRRK2PDGFRA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111329863-A Use of a composition containing a heterocyclic compound for the preparation of a medicament for the treatment of leukemia 黄泳华 2020-06-26 — — CN claimed
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 — — CN claimed
CN-110559299-A composition containing pyridyl pyrimidinamine compound and application thereof 黄泳华 2019-12-13 — — CN claimed
CN-110559443-A composition comprising histamine release-promoting substance and pyridylpyrimidine amine compound, and oral solid preparation containing the same 黄泳华 2019-12-13 — — CN claimed
CN-111329863-A Use of a composition containing a heterocyclic compound for the preparation of a medicament for the treatment of leukemia 黄泳华 2020-06-26 — — CN disclosed
CN-111298127-A Composition comprising histamine release-promoting substance and inhibitory compound, and oral solid preparation containing the same 黄泳华 2020-06-19 — — CN disclosed
CN-110559299-A composition containing pyridyl pyrimidinamine compound and application thereof 黄泳华 2019-12-13 — — CN disclosed
CN-110559443-A composition comprising histamine release-promoting substance and pyridylpyrimidine amine compound, and oral solid preparation containing the same 黄泳华 2019-12-13 — — CN disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — 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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN ABL1 622/4885BCR 816/4885KIT 3880/4885

“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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