SCHEMBL4605076

SCHEMBL4605076

[NH]C(=O)c1cccc(CN)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 4/20 0.63
▸ ENPP2 Q13822 1/20 0.50
▸ CFD P00746 1/20 0.46
▸ PNMT P11086 1/20 0.45
▸ PRSS1 P07477 2/20 0.44
▸ PRSS2 P07478 2/20 0.44
▸ PRSS3 P35030 2/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ HTR2C P28335 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NOS1 P29475 3/20 0.42
▸ NOS2 P35228 3/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ F10 P00742 1/20 0.41

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
SCHEMBL27594322 0.83 LOXL2 (0.65) LOXL2ENPP2CFDPNMTFOLH1
SCHEMBL509423 0.82 LOXL2 (0.66) LOXL2ENPP2CFDFOLH1TSHR
SCHEMBL29364575 0.82 LOXL2 (0.66) LOXL2ENPP2CFDFOLH1TSHR
SCHEMBL61226 0.82 FOLH1 (0.66) LOXL2ENPP2FOLH1CYP2D6CYP2C9
SCHEMBL31500919 0.82 FOLH1 (0.66) LOXL2ENPP2FOLH1CYP2D6CYP2C9
SCHEMBL31500915 0.82 FOLH1 (0.66) LOXL2ENPP2FOLH1CYP2D6CYP2C9
Isophthalic Acid SCHEMBL9858510 0.80 FOLH1 (0.58) LOXL2ENPP2CFDFOLH1
SCHEMBL9842445 0.80 LOXL2 (0.58) LOXL2ENPP2CFDTSHRCYP2C19
Water SCHEMBL8887800 0.80 FOLH1 (0.63) LOXL2ENPP2FOLH1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4232340 0.80 FOLH1 (0.63) LOXL2ENPP2FOLH1CYP2D6CYP2C9

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
EP-1768978-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-07-09 — — EP disclosed
US-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-03-06 — — US disclosed
US-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PASS MARTIN 2008-02-28 — — 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 (2 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-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB LOXL2 4536/4885ENPP2 672/4885CFD 4084/4885
US-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB LOXL2 4536/4885ENPP2 672/4885CFD 4084/4885

“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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