SCHEMBL24437272

SCHEMBL24437272

O=C(Nc1ccncc1F)c1nn(CC2CC2)c2c(F)cccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.41
▸ KDM4C Q9H3R0 4/20 0.40
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ WNT1 P04628 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL29601370 1.00 ROCK2 (0.41) ROCK2KDM4COPRM1OPRL1PIM1
SCHEMBL24437151 0.87 CNR1 (0.48) ROCK2KDM4CCNR1
SCHEMBL24437158 0.85 HTR3A (0.44) ROCK2KDM4COPRM1OPRL1PIM1
SCHEMBL24437200 0.83 CNR1 (0.51) ROCK2KDM4COPRM1OPRL1CNR1
SCHEMBL29601435 0.81 KDM4C (0.52) ROCK2KDM4CCNR1WNT1MAPK14
SCHEMBL29600940 0.81 KDM4C (0.58) KDM4CMAPK14HDAC1HDAC2
SCHEMBL24437135 0.81 KDM4C (0.52) ROCK2KDM4CCNR1WNT1MAPK14
SCHEMBL24437301 0.81 KDM4C (0.58) KDM4CMAPK14HDAC1HDAC2
SCHEMBL24437270 0.80 KDM4C (0.51) ROCK2KDM4CWNT1MAPK14HDAC1
SCHEMBL24437216 0.80 KDM4C (0.48) ROCK2KDM4CCNR1WNT1MAPK14

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-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 (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-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 ROCK2 1486/4885KDM4C 3959/4885OPRM1 1031/4885

“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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