SCHEMBL2012012

SCHEMBL2012012

Cc1nc(C(=O)O)c(-c2cccc(F)c2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.49
HAO2 Q9NYQ3 1/20 0.45
DHODH Q02127 7/20 0.44
KMO O15229 2/20 0.44
PTGER1 P34995 2/20 0.43
FBP1 P09467 1/20 0.42
ADORA2A P29274 1/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL2163437 0.90 TRPM8 (0.44) PIN1DHODHKMOPTGER1ADORA2A
SCHEMBL2016547 0.87 SMN1; SMN2 (0.45) DHODH
SCHEMBL2035653 0.83 TRPM8 (0.51) PIN1PTGDR2
SCHEMBL12632913 0.76 PTPN11 (0.43) PIN1PTGER1ADORA2A
SCHEMBL2011675 0.76 TRPM8 (0.43) PIN1KMOPTGER1ADORA2A
SCHEMBL2017407 0.75 ADORA2A (0.36) ADORA2APTGDR2
SCHEMBL16038165 0.74 ABCG2 (0.53) PIN1KMOADORA2A
SCHEMBL2013193 0.74 ADORA2A (0.41) ADORA2A
SCHEMBL2014923 0.73 TRPM8 (0.46) PIN1ADORA2A
SCHEMBL12125684 0.73 TAAR1 (0.48) ADORA2A

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 PIN1 2184/4885HAO2 3768/4885DHODH 4416/4885

“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.