SCHEMBL24437269

SCHEMBL24437269

O=C(Nc1ccncc1F)c1ccn(CC2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ROCK2 O75116 3/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PIM1 P11309 7/20 0.39
▸ PIM3 Q86V86 5/20 0.39
▸ PIM2 Q9P1W9 5/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ TSHR P16473 1/20 0.37

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
SCHEMBL24437152 0.86 NPC1 (0.44) HIF1ANPC1RAB9ASMN1; SMN2OPRM1
SCHEMBL24437265 0.86 RAB9A (0.39) HIF1ANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL24437167 0.80 NPC1 (0.42) HIF1ANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL24437207 0.78 CRACR2A (0.45) NPC1RAB9ASMN1; SMN2KDM4CTSHR
SCHEMBL24437151 0.74 CNR1 (0.48) ROCK2KDM4C
SCHEMBL24437201 0.74 STIM1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2TSHR
SCHEMBL24437195 0.73 CNR1 (0.42) ROCK2SMN1; SMN2KDM4C
SCHEMBL24437154 0.73 DYRK1A (0.49) ROCK2SMN1; SMN2KDM4C
SCHEMBL24437272 0.73 ROCK2 (0.41) RAB9AROCK2PIM1PIM3PIM2
SCHEMBL24437333 0.73 WNT1 (0.39) NPC1RAB9AROCK2SMN1; SMN2OPRM1

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 HIF1A 1367/4885NPC1 408/4885RAB9A 1863/4885

“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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