SCHEMBL4010143

SCHEMBL4010143

Nc1cc(CCc2cccc(C(=O)O)c2)n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.46
DHODH Q02127 1/20 0.46
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
RAB9A P51151 1/20 0.43
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
HTT P42858 1/20 0.41
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 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
SCHEMBL62859 0.84 DHODH (0.48) DHODHCYP4F2CYP4A11
SCHEMBL64650 0.80 BACE1 (0.49) RAB9A
SCHEMBL371526 0.78 FOLH1 (0.70) FOLH1ANPEPENPEPCYP2D6CYP2C9
SCHEMBL1817886 0.75 FOLH1 (0.66) FOLH1ANPEPENPEPCYP2D6CYP2C9
SCHEMBL30395109 0.75 FOLH1 (0.66) FOLH1ANPEPENPEPCYP2D6CYP2C9
SCHEMBL3939419 0.73 CYP4F2 (0.54) RAB9ACYP4F2CYP4A11CYP2D6
SCHEMBL7556820 0.72 FOLH1 (0.58) FOLH1DHODHGRM2GRM3ANPEP
SCHEMBL1296456 0.72 FOLH1 (0.61) FOLH1ANPEPENPEPCYP2D6CYP2C9
SCHEMBL999055 0.72 FOLH1 (0.61) FOLH1DHODHANPEPENPEPCYP2D6
SCHEMBL27706799 0.71 FOLH1 (0.49) FOLH1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 FOLH1 1027/4885DHODH 2285/4885GRM2 3597/4885

“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.