SCHEMBL5998636

SCHEMBL5998636

CCOC(=O)c1cccc(Nc2nccc(-c3cccnc3Cl)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ ABL1 P00519 2/20 0.56
▸ BCR P11274 2/20 0.56
▸ SRC P12931 1/20 0.56
▸ SYK P43405 1/20 0.55
▸ FGFR1 P11362 1/20 0.51
▸ TP53 P04637 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ PRKCA P17252 1/20 0.48
▸ MAPT P10636 5/20 0.48
▸ LMNA P02545 3/20 0.48
▸ THRB P10828 1/20 0.48
▸ CDC25B P30305 1/20 0.47
▸ PIK3CA P42336 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ MEN1 O00255 2/20 0.46

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
SCHEMBL3609221 0.87 ABL1 (0.57) SMN1; SMN2NPC1RAB9AKDM4EABL1
SCHEMBL5999668 0.84 ABL1 (0.67) NPC1RAB9AABL1BCRSRC
SCHEMBL5732836 0.83 SYK (0.61) SMN1; SMN2NPC1RAB9AKDM4EABL1
SCHEMBL1927060 0.83 ABL1 (0.80) SMN1; SMN2NPC1RAB9AKDM4EABL1
SCHEMBL4903303 0.82 ABL1 (0.66) SMN1; SMN2NPC1RAB9AKDM4EABL1
Water SCHEMBL7817247 0.82 SYK (0.59) SMN1; SMN2NPC1RAB9AKDM4EABL1
SCHEMBL4904236 0.78 ABL1 (0.58) SMN1; SMN2NPC1RAB9AKDM4EABL1
SCHEMBL3257066 0.78 SYK (0.49) SMN1; SMN2NPC1RAB9AKDM4EABL1
SCHEMBL3599515 0.77 ABL1 (0.65) NPC1RAB9AABL1BCRPRKCA
SCHEMBL5998979 0.77 SYK (0.59) SMN1; SMN2NPC1RAB9AKDM4EABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7151096-B2 Cyclic compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-12-19 — — US disclosed
US-20040235841-A1 Cyclic compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2004-11-25 — — US disclosed
WO-2004078682-A2 CYCLIC COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2004-09-16 — — 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 (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-20040235841-A1 Cyclic compounds and compositions as protein kinase inhibitors CDK2, CDK5, CDK1 SMN1; SMN2 2169/4885NPC1 3486/4885RAB9A 2182/4885

“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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