SCHEMBL398063

SCHEMBL398063

C=C(c1nncc2cc(-c3ccccc3C(N)=O)ccc12)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.44
FEN1 P39748 2/20 0.44
BCAT2 O15382 1/20 0.40
CHEK1 O14757 1/20 0.37
HSP90AA1 P07900 2/20 0.37
C1S P09871 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
PARP1 P09874 3/20 0.35
PDK2 Q15119 2/20 0.35
KIT P10721 2/20 0.35
MAPK14 Q16539 2/20 0.35
METAP2 P50579 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL397514 0.78 ALOX5AP (0.45) ALOX5APFEN1BCAT2CHEK1HSP90AA1
SCHEMBL397200 0.78 ALOX5AP (0.45) ALOX5APFEN1BCAT2CHEK1HSP90AA1
SCHEMBL4576512 0.78 MAPK14 (0.56) ALOX5APFEN1BCAT2HSP90AA1TRPV1
SCHEMBL393447 0.78 MAPK14 (0.56) ALOX5APFEN1BCAT2HSP90AA1TRPV1
SCHEMBL4576490 0.78 MAPK14 (0.56) ALOX5APFEN1BCAT2HSP90AA1TRPV1
SCHEMBL4575830 0.76 MAPK14 (0.52) ALOX5APFEN1BCAT2CHEK1HSP90AA1
SCHEMBL4232113 0.74 BCAT2 (0.54) ALOX5APFEN1BCAT2CHEK1TRPV1
SCHEMBL396559 0.72 MAPK14 (0.51) KITMAPK14MAPK9MAPK10LCK
SCHEMBL31621279 0.68 SLC6A2 (0.64) ALOX5APFEN1BCAT2CHEK1PARP1
SCHEMBL31621280 0.68 SLC6A2 (0.64) ALOX5APFEN1BCAT2CHEK1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 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-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 ALOX5AP 1577/4885FEN1 4509/4885BCAT2 3850/4885

“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.