SCHEMBL18113802

SCHEMBL18113802

COc1ncnc(OC)c1C(=O)Nc1nc(C(F)(F)F)c(-c2cnc(C3CC3)nc2)s1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 2/20 0.35
▸ POLQ O75417 1/20 0.34
▸ KIT P10721 1/20 0.33
▸ TRPV4 Q9HBA0 2/20 0.33
▸ PIK3CD O00329 3/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ ACHE P22303 2/20 0.32
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ LIPG Q9Y5X9 2/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 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
SCHEMBL18113948 0.87 POLQ (0.36) PI4KBPOLQMAPTALDH1A1P2RY1
SCHEMBL18113889 0.87 ABL1 (0.37) PI4KBPOLQP2RY1PIK3CGABL1
SCHEMBL18113904 0.84 POLQ (0.40) PI4KBPOLQP2RY1PIK3CGABL1
SCHEMBL18113769 0.83 TRPV4 (0.38) POLQTRPV4MAPTALDH1A1TSHR
SCHEMBL18113817 0.83 ABL1 (0.40) PI4KBPOLQPIK3CDMAPTALDH1A1
SCHEMBL18113844 0.82 MAP3K5 (0.35) PI4KBPOLQGSK3B
SCHEMBL18113809 0.81 POLQ (0.44) POLQ
SCHEMBL18113847 0.81 PIK3CG (0.34) PI4KBPOLQP2RY1PIK3CGABL1
SCHEMBL18113775 0.81 TP53 (0.40) ACHEMAPTALDH1A1P2RY1LMNA
SCHEMBL18113839 0.80 PIK3CD (0.40) PI4KBPOLQPIK3CDABL1

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 2233/4885POLQ 4676/4885KIT 2641/4885

“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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