SCHEMBL1308014

SCHEMBL1308014

O=C(Nc1cccc(F)c1F)c1ccccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
KDR P35968 1/20 0.55
PABPC1 P11940 1/20 0.53
EIF4H Q15056 1/20 0.53
TP53 P04637 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 1/20 0.53
RAB9A P51151 1/20 0.52
POLB P06746 1/20 0.51
CASP3 P42574 1/20 0.51
RORC P51449 1/20 0.51
GRM4 Q14833 1/20 0.51
HTT P42858 2/20 0.50
KCNMA1 Q12791 1/20 0.50

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
SCHEMBL30369780 0.82 CYP1A2 (0.59) HPGDCYP1A2CYP2C19TP53KDM4E
SCHEMBL18160388 0.81 RAB9A (0.53) KDM4EKMT2ARAB9APOLBRORC
SCHEMBL18146730 0.81 RORC (0.52) HPGDCYP1A2CYP2C19TP53KDM4E
SCHEMBL4717156 0.81 CYP1A2 (0.68) HPGDCYP1A2CYP2C19TP53RXFP1
SCHEMBL6847222 0.81 HPGD (0.58) HPGDCYP1A2CYP2C19KDRTP53
SCHEMBL18147200 0.77 RORC (0.82) CYP1A2CYP2C19TP53ALDH1A1KMT2A
SCHEMBL4081114 0.77 HPGD (0.53) HPGDCYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL30876201 0.77 HPGD (0.61) HPGDCYP1A2CYP2C19TP53KDM4E
SCHEMBL9833874 0.77 CYP1A2 (0.77) HPGDCYP1A2CYP2C19KDRPABPC1
SCHEMBL6762655 0.77 RAB9A (0.68) HPGDCYP1A2CYP2C19TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 US claimed
US-8053454-B2 Pyridopyrimidinone inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2011-11-08 US disclosed
US-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 EXELIXIS, INC. (US) 2009-02-12 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-20090042918-A1 Pyridopyrimidinone Inhibitors of PIM-1 and/or PIM-3 PIM1, PIM3, PIM2 HPGD 2293/4885CYP1A2 1649/4885CYP2C19 481/4885

“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.