SCHEMBL4817422

SCHEMBL4817422

C#CCNC(=O)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.52
SORT1 Q99523 3/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
EPHX2 P34913 1/20 0.41
CES2 O00748 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
PDPK1 O15530 1/20 0.40
ELANE P08246 2/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL13753003 0.84 DDR1 (0.58) DDR1SORT1TMPRSS4TRPV1EPHX2
SCHEMBL13753112 0.81 POLB (0.59) DDR1SORT1EPHX2MEN1KMT2A
SCHEMBL21841270 0.79 DDR1 (0.51) DDR1SORT1TMPRSS4TRPV1EPHX2
SCHEMBL14214021 0.79 KDM4E (0.53) DDR1SORT1TMPRSS4TRPV1CES2
SCHEMBL18704415 0.79 CA12 (0.59) CA12CA1CA2CA9CA14
SCHEMBL5782704 0.77 SIRT5 (0.53) DDR1SORT1EPHX2
SCHEMBL5029468 0.77 DDR1 (0.52) DDR1SORT1TMPRSS4TRPV1EPHX2
SCHEMBL7363177 0.77 MLYCD (0.54) DDR1EPHX2HPGDMEN1KMT2A
SCHEMBL13753425 0.75 ENPP2 (0.46) DDR1TMPRSS4TRPV1
SCHEMBL2430560 0.75 POLB (0.68) DDR1CES2MEN1KMT2AALDH1A1

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-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 DDR1 1059/4885SORT1 4733/4885CA12 4537/4885

“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.