SCHEMBL4605217

SCHEMBL4605217

[NH]C(=O)Cc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
CA2 P00918 1/20 0.41
FDPS P14324 1/20 0.41
CNR2 P34972 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
EPHX1 P07099 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
C1S P09871 1/20 0.38
PRSS3 P35030 1/20 0.38
MAPT P10636 2/20 0.38

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
SCHEMBL7769861 0.81 ABAT (0.48) LOXL2CA2MAPT
SCHEMBL5272776 0.80 GFER (0.50) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL1331730 0.78 CA2 (0.62) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL687483 0.78 CA2 (0.67) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL11212239 0.78 CA2 (0.62) ALDH1A1TSHRTDP1CA2MAPT
SCHEMBL3424224 0.78 PRSS1 (0.43) TSHRCA2PRSS1PRSS2PRSS3
SCHEMBL39103 0.78 CA2 (0.62) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL4044552 0.78 CA2 (0.62) ALDH1A1CA2MEN1KMT2ARAB9A
SCHEMBL5498931 0.77 GFER (0.54) GFERALDH1A1CYP3A4TSHRTDP1
Bromide SCHEMBL25328791 0.76 CA2 (0.60) GFERALDH1A1CYP3A4TSHRTDP1

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 7 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-5885787-A Process for preparing optically active amines BAYER AKTIEGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0812363-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE AMINES BAYER AG (DE) 1997-12-17 EP disclosed
WO-1996027022-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE AMINES BAYER AKTIENGESELLSCHAFT (DE) 1996-09-06 WO disclosed
EP-0399589-A1 Preparation of N-acyl alkylamines SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-11-28 EP disclosed
US-4282145-A Process for the preparation of azetidines GIST-BROCADES N.V. (NL) 1981-08-04 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-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB GFER 4862/4885ALDH1A1 2649/4885CYP3A4 2561/4885

“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.