SCHEMBL12727460

SCHEMBL12727460

Cc1cc2[nH]c(=O)n(-c3ccc(C(=O)NC(C(=O)O)c4cccc(Cl)c4)cc3)c(=O)c2cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ S1PR3 Q99500 3/20 0.41
▸ S1PR1 P21453 2/20 0.41
▸ RXFP1 Q9HBX9 3/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TYMS P04818 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL1639033 0.90 P2RY12 (0.48) MAPK3MAPK1TP53MAPTKDM4E
SCHEMBL12727461 0.82 P2RY12 (0.47) MAPK3MAPK1TP53MAPTKDM4E
SCHEMBL1639567 0.81 P2RY12 (0.49) TP53MAPTKDM4ESMN1; SMN2S1PR3
SCHEMBL12768944 0.80 MAPK1 (0.50) MAPK3MAPK1TP53MAPTKDM4E
SCHEMBL27756390 0.78 P2RY12 (0.53) MAPK3MAPK1TP53MAPTKDM4E
SCHEMBL12768943 0.78 P2RY12 (0.47) MAPK3MAPK1TP53MAPTKDM4E
SCHEMBL12727437 0.77 P2RY12 (0.44) TP53MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12727421 0.77 KDM4E (0.48) MAPK1TP53MAPTKDM4ESMN1; SMN2
SCHEMBL1639086 0.76 P2RY12 (0.44) MAPK3MAPK1TP53MAPTKDM4E
SCHEMBL12727419 0.74 P2RY12 (0.44) TP53MAPTKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-04-28 — — US 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-20110098247-A1 Substituted Dihydroquinazolines as Platelet ADP Receptor Inhibitors TBXA2R, F2R, PTGER1 MAPK3 2351/4885MAPK1 562/4885TP53 3875/4885

“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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