SCHEMBL18113848

SCHEMBL18113848

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cnc(N3CCOCC3)cn2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ WNT3A P56704 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LRRK2 Q5S007 2/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RAF1 P04049 7/20 0.36
▸ BRAF P15056 7/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE11A Q9HCR9 1/20 0.36
▸ CDK4 P11802 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
SCHEMBL18113952 0.88 MTOR (0.42) ADORA2AADORA1WNT3AMAPTSTAT3
SCHEMBL18113822 0.85 ADORA2A (0.42) ADORA2AADORA1WNT3ALRRK2RAF1
SCHEMBL18113809 0.85 POLQ (0.44) ADORA2AADORA1DGAT1RAF1BRAF
SCHEMBL18113910 0.84 BRAF (0.45) LRRK2RAF1BRAF
SCHEMBL18113934 0.80 ADORA2A (0.41) ADORA2AADORA1LRRK2RAF1BRAF
SCHEMBL20481591 0.79 ADORA2A (0.42) ADORA2AADORA1RAF1BRAFPDE4A
SCHEMBL18113893 0.79 NPC1 (0.38) MAPTSMN1; SMN2NPC1RAB9APIK3CG
SCHEMBL18113832 0.78 ALDH1A1 (0.47) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL18113857 0.77 ROCK2 (0.44) ADORA2AADORA1RAF1
SCHEMBL20481613 0.77 CFTR (0.35) MAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US claimed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — WO claimed
US-20180243298-A1 TRPV3 MODULATORS ABBVIE INC. 2018-08-30 — — US disclosed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 — — WO 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 ADORA2A 1165/4885ADORA1 600/4885WNT3A 421/4885

“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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