Sugi Predict

Sugi Predict / Compounds / SCHEMBL2035653

SCHEMBL2035653

SCHEMBL2035653

CON(C)C(=O)c1nc(C)c2ccccc2c1-c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 3/20 0.51
▸ TACR3 P29371 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SCD5 Q86SK9 1/20 0.36
▸ PADI4 Q9UM07 1/20 0.36
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35
▸ TUBA1C Q9BQE3 1/20 0.35
▸ TUBB6 Q9BUF5 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
SCHEMBL2016547 0.83 SMN1; SMN2 (0.45) TRPM8TACR3CASP3SMN1; SMN2
SCHEMBL2012012 0.83 PIN1 (0.49) PTGDR2PIN1
SCHEMBL2163437 0.82 TRPM8 (0.44) TRPM8CASP3PADI4PTGDR2PIN1
SCHEMBL15956365 0.72 TRPM8 (0.53) TRPM8GPBAR1TUBB4ATUBBTUBA3C
SCHEMBL2036111 0.71 TRPM8 (0.49) TRPM8SMN1; SMN2
SCHEMBL14784157 0.71 TRPM8 (0.56) TRPM8RELA
SCHEMBL2014820 0.69 TRPM8 (0.44) TRPM8TP53MAP4K4SMN1; SMN2
SCHEMBL2011675 0.69 TRPM8 (0.43) TRPM8PIN1
SCHEMBL12632913 0.69 PTPN11 (0.43) TRPM8TACR3TP53MAP4K4SMN1; SMN2
SCHEMBL2012809 0.68 TRPM8 (0.48) TRPM8GPBAR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — WO disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 TRPM8 4741/4885TACR3 4424/4885TP53 768/4885

“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.