SCHEMBL25226857

SCHEMBL25226857

O=c1[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)ncnc2n1C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ FFAR2 O15552 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PDE9A O76083 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL25167958 0.90 NPSR1 (0.41) CHRM2CHRM4CHRM1NPSR1KDM4E
SCHEMBL23216978 0.87 TSHR (0.38) NPSR1KDM4EOPRM1OPRK1OPRL1
SCHEMBL29844326 0.87 TSHR (0.38) NPSR1KDM4EOPRM1OPRK1OPRL1
SCHEMBL25616566 0.84 CHRM1 (0.44) CHRM2CHRM4CHRM1JAK2JAK3
SCHEMBL16143648 0.82 PIK3CD (0.38) NPSR1KDM4EOPRM1OPRK1OPRL1
SCHEMBL20480742 0.82 PIK3CD (0.38) NPSR1KDM4EOPRM1OPRK1OPRL1
SCHEMBL15155889 0.81 EGFR (0.39) JAK2JAK3NPSR1KDM4EMAPT
SCHEMBL15156332 0.79 NPSR1 (0.36) NPSR1KDM4EFFAR2MAPTLMNA
SCHEMBL28090364 0.78 PIK3CD (0.36) NPSR1KDM4EPDE9AMAPTTP53
SCHEMBL27909239 0.77 NPSR1 (0.35) JAK2NPSR1KDM4EMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 — — US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 — — US disclosed
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 — — 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-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN CHRM2 4242/4885CHRM4 4233/4885CHRM1 3604/4885

“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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