SCHEMBL6415985

SCHEMBL6415985

Cc1cc(N(C)c2nc(-c3ccccc3)cc3ncnn23)nc(N[C@@H](C)Cc2cccc(CCNC(=O)OC(C)(C)C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.37
▸ ACACA Q13085 2/20 0.37
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SUCNR1 Q9BXA5 5/20 0.33
▸ CTSK P43235 2/20 0.33
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ GLS O94925 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32

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
SCHEMBL6415989 0.89 CKS1B (0.38) ACACBACACACKS1BSKP1SKP2
SCHEMBL5259529 0.85 ACACB (0.36) ACACBACACACKS1BSKP1SKP2
SCHEMBL6421369 0.81 EGLN2 (0.36) CYP1A2EGLN2
SCHEMBL5315338 0.76 EPHB4 (0.38) —
SCHEMBL5310133 0.76 EPHB4 (0.38) —
SCHEMBL6417723 0.74 CFD (0.34) —
SCHEMBL6415740 0.69 KDR (0.33) CYP3A4CYP2C9
SCHEMBL6421364 0.68 EGLN2 (0.36) CYP1A2CYP3A4EGLN2
SCHEMBL3933847 0.68 CA2 (0.48) POLBCTSKCTSBCTSSGLS
SCHEMBL693223 0.67 SIGMAR1 (0.53) CTSKCTSBCTSSCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 — — 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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT ACACB 2281/4885ACACA 3277/4885CKS1B 620/4885

“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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