SCHEMBL24437333

SCHEMBL24437333

O=C(Nc1ccncc1F)c1nn(CC2CC2)c2c1CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 1/20 0.39
▸ KDM4C Q9H3R0 3/20 0.38
▸ BRD4 O60885 5/20 0.37
▸ CREBBP Q92793 5/20 0.37
▸ ROCK2 O75116 5/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL24437314 0.95 KDM4C (0.40) WNT1KDM4CBRD4CREBBPROCK2
SCHEMBL24437156 0.89 CREBBP (0.40) KDM4CBRD4CREBBPOPRM1OPRL1
SCHEMBL24437321 0.87 GRM5 (0.40) KDM4CBRD4CREBBPOPRM1OPRL1
SCHEMBL24437166 0.84 OPRM1 (0.40) KDM4CBRD4CREBBPOPRM1OPRL1
SCHEMBL24437151 0.79 CNR1 (0.48) KDM4CROCK2
SCHEMBL24437121 0.78 CHRM1 (0.39) WNT1KDM4CROCK2OPRM1OPRL1
SCHEMBL29601370 0.78 ROCK2 (0.41) WNT1KDM4CROCK2MAPK14HDAC1
SCHEMBL24437272 0.78 ROCK2 (0.41) WNT1KDM4CROCK2MAPK14HDAC1
SCHEMBL24437215 0.77 KDM4C (0.41) WNT1KDM4CROCK2MAPK14HDAC1
SCHEMBL24437158 0.77 HTR3A (0.44) WNT1KDM4CROCK2MAPK14HDAC1

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-12459938-B2 ORAI channel inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2025-11-04 — — US disclosed
US-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 — — US disclosed
US-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 — — 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-12459938-B2 ORAI channel inhibitors ORAI1, CACNA1E, ORAI3 WNT1 397/4885KDM4C 2563/4885BRD4 1522/4885
US-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 WNT1 2539/4885KDM4C 3959/4885BRD4 2534/4885

“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.

Send feedback