SCHEMBL14090409

SCHEMBL14090409

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4ccccc4OCCN4CCOCC4)ccc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ VCP P55072 2/20 0.41
▸ TEC P42680 1/20 0.41
▸ TXK P42681 1/20 0.41
▸ BLK P51451 1/20 0.41
▸ BMX P51813 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ CHUK O15111 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ CAMKK2 Q96RR4 1/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ HTR2A P28223 2/20 0.40

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 0.89 EPHX2 (0.46) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL14090413 0.89 ABL1 (0.49) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL12833483 0.89 PDCD1 (0.41) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL12834188 0.87 CDK4 (0.52) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL14090945 0.86 NPSR1 (0.47) MAPTHDAC1MAPK14
SCHEMBL12833903 0.85 CDK4 (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL14090785 0.84 SMO (0.49) HDAC1MAPK14
SCHEMBL12834472 0.84 CDK4 (0.41) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL12833435 0.84 CDK4 (0.47) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL14090811 0.83 F2 (0.43) MAPTHDAC1MAPK14

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 CDK4 110/4885CCNA2 664/4885CCND1 1679/4885

“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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