SCHEMBL18113847

SCHEMBL18113847

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cnoc2)s1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.34
▸ POLQ O75417 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ P2RY1 P47900 4/20 0.32
▸ ABL1 P00519 2/20 0.32
▸ ATF1 P18846 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ NCS1 P62166 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.30
▸ SCD O00767 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
SCHEMBL18113889 0.85 ABL1 (0.37) PIK3CGPOLQNPC1TP53HTT
SCHEMBL18113948 0.85 POLQ (0.36) PIK3CGPOLQNPC1TP53HTT
SCHEMBL18113817 0.82 ABL1 (0.40) PIK3CGPOLQP2RY1ABL1PI4KB
SCHEMBL18113775 0.82 TP53 (0.40) TP53HTTSMN1; SMN2P2RY1
SCHEMBL18113797 0.82 POLQ (0.42) PIK3CGPOLQABL1
SCHEMBL18113839 0.82 PIK3CD (0.40) POLQABL1KDRNCS1PI4KB
SCHEMBL18113904 0.82 POLQ (0.40) PIK3CGPOLQP2RY1ABL1ATF1
SCHEMBL18113881 0.81 PI4KB (0.36) PIK3CGNPC1TP53HTTRAB9A
SCHEMBL18113802 0.81 PI4KB (0.35) PIK3CGPOLQP2RY1ABL1PI4KB
SCHEMBL18113853 0.80 PIK3CG (0.36) PIK3CGNCS1

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 PIK3CG 2084/4885POLQ 4676/4885NPC1 1133/4885

“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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