SCHEMBL18113887

SCHEMBL18113887

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2ccc(C(C)(C)C#N)cn2)s1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 4/20 0.36
▸ NCS1 P62166 1/20 0.35
▸ ABL1 P00519 1/20 0.33
▸ BRAF P15056 5/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ RAF1 P04049 2/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ CSNK1D P48730 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLQ O75417 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2A1 P68400 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
SCHEMBL18113856 0.89 P2RY1 (0.38) PI4KBNCS1ABL1DGAT1DHODH
SCHEMBL20481613 0.84 CFTR (0.35) PI4KBNCS1HTTSMN1; SMN2
SCHEMBL18113798 0.82 KDM4E (0.34) PI4KBNCS1ABL1BRAFRAF1
SCHEMBL18113905 0.80 RAF1 (0.38) PI4KBABL1BRAFRAF1POLQ
SCHEMBL18113881 0.80 PI4KB (0.36) PI4KBNCS1NPC1TP53HTT
SCHEMBL20481494 0.80 ADORA2A (0.46) PI4KBNCS1
SCHEMBL18113801 0.80 NCS1 (0.36) PI4KBNCS1DHODHNPC1RAB9A
SCHEMBL18113820 0.78 P2RY1 (0.47) HTTSMN1; SMN2POLQ
SCHEMBL18113904 0.78 POLQ (0.40) PI4KBABL1POLQ
SCHEMBL18113893 0.78 NPC1 (0.38) PI4KBABL1NPC1TP53HTT

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 PI4KB 2233/4885NCS1 480/4885ABL1 4491/4885

“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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