SCHEMBL397514

SCHEMBL397514

C[C@H](c1nncc2cc(-c3ccccc3C(N)=O)ccc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.45
FEN1 P39748 7/20 0.45
BCAT2 O15382 1/20 0.38
KIT P10721 4/20 0.38
MAPK14 Q16539 4/20 0.38
MAPK9 P45984 3/20 0.38
KDR P35968 3/20 0.38
MAPK10 P53779 2/20 0.38
LCK P06239 2/20 0.38
LYN P07948 1/20 0.38
LRRK2 Q5S007 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
CHEK1 O14757 1/20 0.36
HSP90AA1 P07900 2/20 0.36
PDK2 Q15119 1/20 0.36
TGFBR1 P36897 1/20 0.35
CTSA P10619 1/20 0.35

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
SCHEMBL397200 1.00 ALOX5AP (0.45) ALOX5APFEN1BCAT2KITMAPK14
SCHEMBL393447 0.82 MAPK14 (0.56) ALOX5APFEN1BCAT2KITMAPK14
SCHEMBL4576512 0.82 MAPK14 (0.56) ALOX5APFEN1BCAT2KITMAPK14
SCHEMBL4576490 0.82 MAPK14 (0.56) ALOX5APFEN1BCAT2KITMAPK14
SCHEMBL435291 0.82 CDK2 (0.43) MAPK14MAPK9KDRLCKLYN
SCHEMBL437501 0.82 CDK2 (0.43) MAPK14MAPK9KDRLCKLYN
SCHEMBL398063 0.78 ALOX5AP (0.44) ALOX5APFEN1BCAT2KITMAPK14
SCHEMBL4575830 0.78 MAPK14 (0.52) ALOX5APFEN1BCAT2KITMAPK14
SCHEMBL396560 0.76 MAPK14 (0.55) KITMAPK14MAPK9KDRMAPK10
SCHEMBL4232113 0.72 BCAT2 (0.54) ALOX5APFEN1BCAT2TRPV1CHEK1

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.