SCHEMBL21721047

SCHEMBL21721047

CC(C)c1ccc(-n2cc(C(C)(C)c3ccc(F)nc3)cn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.40
GCG P01275 13/20 0.35
GCGR P47871 3/20 0.35
PANK3 Q9H999 1/20 0.33
SMO Q99835 1/20 0.32
HDAC4 P56524 1/20 0.30

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
SCHEMBL22701706 0.75 EGLN1 (0.50) EGLN1
SCHEMBL25489183 0.71 CYP2A6 (0.36)
SCHEMBL3513409 0.71 CYP2A6 (0.36)
SCHEMBL30144069 0.71 CYP2A6 (0.36)
SCHEMBL19501370 0.70 EGLN1 (0.51) EGLN1PANK3
SCHEMBL26422895 0.68 HDAC4 (0.46) GCGGCGRHDAC4
SCHEMBL22605742 0.67 EGLN1 (0.47) EGLN1
SCHEMBL25875342 0.67 MAPT (0.36) EGLN1GCGGCGRHDAC4
SCHEMBL11899574 0.66 GCG (0.45) EGLN1GCGGCGR
SCHEMBL21744564 0.65 EGLN1 (0.45) EGLN1SMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 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 (2 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-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C EGLN1 397/4885GCG 4723/4885GCGR 3896/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C EGLN1 397/4885GCG 4723/4885GCGR 3896/4885

“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.