SCHEMBL20481492

SCHEMBL20481492

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(C2CCOC2)s1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ RAF1 P04049 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ IDH2 P48735 1/20 0.32
▸ NCS1 P62166 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL18113837 0.94 RIPK1 (0.33) TRPV4ADORA2AADORA1NPC1RAB9A
SCHEMBL18113860 0.94 RIPK1 (0.33) TRPV4ADORA2AADORA1NPC1RAB9A
SCHEMBL18113953 0.94 RIPK1 (0.33) TRPV4ADORA2AADORA1NPC1RAB9A
SCHEMBL18113907 0.94 IRAK4 (0.36) IRAK4CNR2LRRK2TRPV4RAF1
SCHEMBL18113769 0.89 TRPV4 (0.38) TRPV4NPC1RAB9AMAPTKDM4E
SCHEMBL18113870 0.85 TRPV4 (0.33) LRRK2TRPV4ADORA2AADORA1NPC1
SCHEMBL18113828 0.83 NPC1 (0.35) TRPV4ADORA2AADORA1NPC1RAB9A
SCHEMBL20481600 0.83 NPC1 (0.39) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL18113923 0.80 — —
SCHEMBL18113822 0.79 ADORA2A (0.42) LRRK2TRPV4RAF1ADORA2AADORA1

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-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US claimed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — 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-20180243298-A1 TRPV3 MODULATORS TRPV3, TRPV1, TRPV2 PIK3CG 2084/4885IRAK4 1168/4885CNR2 378/4885

“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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