SCHEMBL18113787

SCHEMBL18113787

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(C2(C)OCCO2)s1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NCS1 P62166 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ PIK3CG P48736 1/20 0.30
▸ ADORA2A P29274 2/20 0.30
▸ ADORA1 P30542 2/20 0.30
▸ GAA P10253 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ POLQ O75417 1/20 0.30
▸ ATF1 P18846 1/20 0.30

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
SCHEMBL18113796 0.84 ADORA2A (0.33) KDM4EMAPTSMN1; SMN2NPC1TP53
SCHEMBL18113863 0.84 ADORA2A (0.33) KDM4EMAPTSMN1; SMN2NPC1TP53
SCHEMBL20481592 0.83 SMN1; SMN2 (0.32) KDM4EMAPTSMN1; SMN2NPC1TP53
SCHEMBL18113933 0.82 NCS1 (0.35) NCS1RIPK1GAAPOLQ
SCHEMBL20481549 0.81 TP53 (0.37) SMN1; SMN2NPC1TP53HTTRAB9A
SCHEMBL18113849 0.80 GAA (0.43) KDM4EMAPTSMN1; SMN2NPC1TP53
SCHEMBL18113870 0.80 TRPV4 (0.33) KDM4EMAPTSMN1; SMN2NPC1TP53
SCHEMBL20481528 0.80 NPC1 (0.39) MAPTSMN1; SMN2NPC1TP53HTT
SCHEMBL20481571 0.79 TP53 (0.36) SMN1; SMN2NPC1TP53HTTRAB9A
SCHEMBL20481580 0.79 RIPK1 (0.45) MAPTSMN1; SMN2NPC1TP53HTT

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 KDM4E 4286/4885MAPT 776/4885SMN1; SMN2 4408/4885

“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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