SCHEMBL4603744

SCHEMBL4603744

[NH]C(=O)c1ccc(CN)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 4/20 0.58
▸ F10 P00742 1/20 0.58
▸ HDAC3 O15379 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57
▸ NCOR2 Q9Y618 1/20 0.57
▸ ABAT P80404 1/20 0.48
▸ TPSAB1 Q15661 3/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ ST14 Q9Y5Y6 2/20 0.43
▸ PLAU P00749 2/20 0.42
▸ PRSS1 P07477 2/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ F11 P03951 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 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
SCHEMBL7150384 0.80 HDAC3 (0.61) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL4605076 0.79 LOXL2 (0.63) LOXL2F10HDAC3HDAC6NCOR2
Hydrochloric Acid SCHEMBL8833446 0.78 HDAC3 (0.59) LOXL2F10HDAC3HDAC6NCOR2
Aminomethylbenzoic Acid SCHEMBL9344424 0.78 ALDH1A1 (0.60) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL509167 0.78 LOXL2 (0.60) LOXL2F10HDAC3HDAC6NCOR2
Aminomethylbenzoic Acid SCHEMBL38758 0.78 ALDH1A1 (0.60) LOXL2F10HDAC3HDAC6NCOR2
Terephthalamide SCHEMBL3444098 0.78 LOXL2 (0.60) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL11131355 0.78 HDAC3 (0.65) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL3423800 0.78 PRSS1 (0.54) HDAC6PLAUPRSS1PLGPLAT
Bicarbonate SCHEMBL31055587 0.76 ABAT (0.60) LOXL2F10HDAC3HDAC6NCOR2

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 4536/4885F10 1135/4885HDAC3 2454/4885
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 4536/4885F10 1135/4885HDAC3 2454/4885

“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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