SCHEMBL24437216

SCHEMBL24437216

O=C(Nc1ccncc1F)c1nn(CC2CC2)c2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 7/20 0.48
▸ GAA P10253 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ RET P07949 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CFD P00746 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL29601495 1.00 KDM4C (0.48) KDM4CGAAHDAC1HDAC2RET
SCHEMBL24437301 0.90 KDM4C (0.58) KDM4CHDAC1HDAC2MAPK14
SCHEMBL29600940 0.90 KDM4C (0.58) KDM4CHDAC1HDAC2MAPK14
SCHEMBL29601258 0.89 KDM4C (0.57) KDM4CHDAC1HDAC2ROCK2WNT1
SCHEMBL24437308 0.89 KDM4C (0.57) KDM4CHDAC1HDAC2ROCK2WNT1
SCHEMBL24437151 0.86 CNR1 (0.48) KDM4CCFDROCK2CNR1
SCHEMBL29601435 0.85 KDM4C (0.52) KDM4CHDAC1HDAC2ROCK2WNT1
SCHEMBL24437135 0.85 KDM4C (0.52) KDM4CHDAC1HDAC2ROCK2WNT1
SCHEMBL24437270 0.83 KDM4C (0.51) KDM4CHDAC1HDAC2RETROCK2
SCHEMBL29601463 0.83 KDM4C (0.51) KDM4CHDAC1HDAC2RETROCK2

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-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 KDM4C 3959/4885GAA 2757/4885HDAC1 1483/4885

“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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