SCHEMBL13249652

SCHEMBL13249652

O=Nc1cc(F)ccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.39
▸ GPR3 P46089 1/20 0.37
▸ PKM P14618 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ SLC1A5 Q15758 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ANO1 Q5XXA6 1/20 0.32
▸ UGCG Q16739 1/20 0.32
▸ MPO P05164 1/20 0.32
▸ PYGL P06737 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ SCN8A Q9UQD0 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ EPAS1 Q99814 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
SCHEMBL14256865 0.79 ALDH1A1 (0.40) EPHX2FFAR4KDM4EANO1ALDH1A1
SCHEMBL12132321 0.77 KDM4E (0.42) KDM4EMPOALDH1A1POLB
SCHEMBL28144716 0.76 RXRA (0.44) EPHX2KDM4EPYGLMRGPRX4ALDH1A1
SCHEMBL12566385 0.74 EPHX2 (0.53) EPHX2GPR3PDE2ASCN8ASCN10A
SCHEMBL30568364 0.74 GPR3 (0.46) EPHX2GPR3PDE2AKDM4EUGCG
SCHEMBL10864873 0.74 SLC6A2 (0.34) EPHX2GPR3SLC1A5UGCGMPO
SCHEMBL28145761 0.73 NOTUM (0.48) EPHX2KDM4EMRGPRX4ALDH1A1
SCHEMBL25357651 0.71 CA3 (0.46) EPHX2GPR3PDE2AFFAR4MPO
SCHEMBL299889 0.71 SCN5A (0.42) EPHX2GPR3PDE2AFFAR4ANO1
SCHEMBL1275002 0.71 ALDH1A1 (0.41) EPHX2GPR3PDE2AKDM4EUGCG

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-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2010-08-26 — — 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-20100216808-A1 SUBSTITUTED PYRAZOLO-QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS MAP3K5, MAP3K9, MAP4K2 EPHX2 4243/4885GPR3 2695/4885PKM 200/4885

“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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