SCHEMBL14090413

SCHEMBL14090413

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4ccc(OCCN5CCOCC5)cc4)ccc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.49
▸ BCR P11274 4/20 0.49
▸ KDR P35968 5/20 0.49
▸ SLC2A1 P11166 1/20 0.46
▸ AURKB Q96GD4 1/20 0.44
▸ CFTR P13569 1/20 0.44
▸ ACHE P22303 2/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ GRM4 Q14833 1/20 0.42
▸ AURKA O14965 3/20 0.41
▸ FLT3 P36888 3/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCND3 P30281 1/20 0.41

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
SCHEMBL14090411 0.94 EPHX2 (0.46) ABL1BCRKDRSLC2A1AURKB
SCHEMBL14090409 0.89 CDK4 (0.42) ABL1BCRSLC2A1HTR2AKCNH2
SCHEMBL12834010 0.88 CHEK2 (0.47) ABL1BCRKDRSLC2A1ACHE
SCHEMBL12834188 0.87 CDK4 (0.52) KDRCDK4CCNA2CCND1CDK2
SCHEMBL14090412 0.87 ABL1 (0.46) ABL1BCRKDRACHEMCHR1
SCHEMBL12834486 0.86 HPSE (0.48) ABL1
SCHEMBL12833903 0.86 CDK4 (0.47) KDRCDK4CCNA2CCND1CDK2
SCHEMBL14090410 0.86 KDR (0.47) ABL1BCRKDR
SCHEMBL14090414 0.86 MCHR1 (0.51) ABL1BCRKDRACHEMCHR1
SCHEMBL14090415 0.85 MCHR1 (0.51) ABL1ACHEMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 ABL1 37/4885BCR 150/4885KDR 1194/4885

“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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