SCHEMBL23294890

SCHEMBL23294890

C[C@@H]1CN(c2cccc3nc4ccc(-c5ccc(OCCCN(C)C)c(C(F)(F)F)c5)cn4c23)C[C@H](C)O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.39
▸ CTSK P43235 6/20 0.39
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ S1PR1 P21453 7/20 0.33
▸ SPHK2 Q9NRA0 2/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ FYN P06241 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
SCHEMBL23294891 0.91 CTSS (0.41) CTSSCTSKS1PR1SPHK2
SCHEMBL23294882 0.87 CTSS (0.40) CTSSCTSKS1PR1SPHK2
SCHEMBL23294894 0.87 CTSS (0.43) CTSSCTSKS1PR1SPHK2
SCHEMBL23294840 0.81 HRH3 (0.34) FYN
SCHEMBL23294848 0.80 PIK3CA (0.36) MEN1NPC1ALOX12RAB9AKMT2A
SCHEMBL23294819 0.79 PDE10A (0.35) —
SCHEMBL23294824 0.79 CYP1A2 (0.37) FYN
SCHEMBL23294877 0.79 CTSS (0.41) CTSSCTSKSPHK2
SCHEMBL23294821 0.78 HRH3 (0.41) PDE3BPDE3A
SCHEMBL23294879 0.75 PARP1 (0.41) —

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-20210128535-A1 Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2021-05-06 — — US claimed

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-20210128535-A1 Substituted Fused Heteroaromatic Tricyclic Compounds as Kinase Inhibitors and The Use Thereof CHEK2, CHEK1, ATM CTSS 2660/4885CTSK 2710/4885MEN1 2084/4885

“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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