SCHEMBL18113893

SCHEMBL18113893

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cnccn2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ HTT P42858 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ PI4KB Q9UBF8 2/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ LIMK1 P53667 5/20 0.35
▸ LIMK2 P53671 5/20 0.35
▸ TESK1 Q15569 3/20 0.35
▸ TESK2 Q96S53 3/20 0.35
▸ PKM P14618 1/20 0.35
▸ MAPK8 P45983 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
SCHEMBL20481494 0.86 ADORA2A (0.46) MEN1KMT2API4KBL3MBTL1
SCHEMBL20481613 0.82 CFTR (0.35) HTTSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL18113881 0.82 PI4KB (0.36) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL18113889 0.82 ABL1 (0.37) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL18113948 0.82 POLQ (0.36) NPC1RAB9AHTTSMN1; SMN2TP53
SCHEMBL18113854 0.81 PI4KB (0.38) NPC1RAB9AMEN1TP53MAPT
SCHEMBL18113762 0.81 PI4KB (0.39) MEN1TP53KMT2API4KBKDM4E
SCHEMBL18113853 0.81 PIK3CG (0.36) PIK3CG
SCHEMBL18113960 0.81 MALT1 (0.36) NPC1RAB9AHTTSMN1; SMN2CHRM4
SCHEMBL20481549 0.81 TP53 (0.37) NPC1RAB9AHTTSMN1; SMN2MEN1

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 NPC1 1133/4885RAB9A 3142/4885HTT 3355/4885

“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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