SCHEMBL5063318

SCHEMBL5063318

Cc1ccc(OC(C)C2CCCNC2)c(NC(=O)Nc2cnc(C(F)(F)F)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 6/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CHEK1 O14757 4/20 0.39
▸ FECH P22830 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL2037628 0.90 CHEK1 (0.46) KDM4ECCNT1CDK9MEN1MAPT
SCHEMBL5164330 0.86 CHEK1 (0.43) CCNT1CDK9MEN1MAPTKMT2A
SCHEMBL2036334 0.85 CHEK1 (0.47) KDM4ECCNT1CDK9MEN1MAPT
SCHEMBL13997115 0.84 CHEK1 (0.48) HCRTR1KDM4ECHEK1FECHKCNH2
SCHEMBL2031898 0.83 CDK9 (0.50) CCNT1CDK9CHEK1FECHKCNH2
SCHEMBL2036175 0.83 MAP3K5 (0.39) HCRTR1KDM4ECCNT1CDK9MEN1
Hydrochloric Acid SCHEMBL5059305 0.83 CHEK1 (0.47) HCRTR1KDM4ECHEK1FECHKCNH2
SCHEMBL2034857 0.80 KDM4E (0.47) KDM4EMEN1MAPTKMT2ALMNA
SCHEMBL5165393 0.80 CHEK1 (0.43) CCNT1CDK9CHEK1FECHKCNH2
SCHEMBL27644607 0.79 CHEK1 (0.44) CCNT1CDK9CHEK1FECHKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-12-25 — — US claimed
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-12-25 — — US disclosed
CN-101115727-A Compounds for inhibition of CHK1 ICOS CORP (US) 2008-01-30 — — CN disclosed
EP-1778648-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-05-02 — — EP disclosed
WO-2006021002-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-23 — — 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-20080318974-A1 Compounds Useful for Inhibiting Chk1 CHEK1, PCNA, CHEK2 HCRTR1 4805/4885KDM4E 2395/4885CCNT1 172/4885

“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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