SCHEMBL23153308

SCHEMBL23153308

Cc1c[nH]c2c(-c3cc(OCCN(C)C)c(Cl)cc3Cl)nc(N)nc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 12/20 0.51
▸ HSP90AA1 P07900 4/20 0.48
▸ CYP2C19 P33261 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ DHFR P00374 1/20 0.37
▸ MAOA P21397 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34

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
SCHEMBL23153338 0.82 HSP90AB1 (0.51) HSP90AB1HSP90AA1KCNH2
SCHEMBL14209035 0.80 HSP90AB1 (0.49) HSP90AB1HSP90AA1CYP2C19KCNH2DHFR
SCHEMBL18750348 0.77 HSP90AB1 (0.48) HSP90AB1HSP90AA1CYP2C19DHFRMAOA
SCHEMBL23153320 0.75 HSP90AA1 (0.40) HSP90AB1HSP90AA1KDM4ENTRK1
SCHEMBL17336023 0.75 HSP90AB1 (0.50) HSP90AB1HSP90AA1CYP2C19KCNH2DHFR
SCHEMBL17349619 0.74 HSP90AB1 (0.48) HSP90AB1HSP90AA1CYP2C19DHFRMAOA
SCHEMBL17349606 0.74 HSP90AB1 (0.48) HSP90AB1HSP90AA1CYP2C19DHFRNOS3
SCHEMBL23153346 0.73 HSP90AB1 (0.48) HSP90AB1HSP90AA1CYP2C19NOS3NOS1
SCHEMBL24055078 0.71 HSP90AB1 (0.49) HSP90AB1HSP90AA1CYP2C19DHFRMAOA
SCHEMBL17336017 0.71 HSP90AB1 (0.49) HSP90AB1HSP90AA1KCNH2

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-10961254-B2 Pyrimidine compounds and methods using the same YUMA THERAPEUTICS, INC. (US) 2021-03-30 — — 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-10961254-B2 Pyrimidine compounds and methods using the same HSP90AB2P, HSPH1, HSF1 HSP90AB1 5/4885HSP90AA1 8/4885CYP2C19 2776/4885

“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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