SCHEMBL14877111

SCHEMBL14877111

Fc1ccc(C(F)(F)F)cc1-c1cc(-c2c[nH]c3cnccc23)c2cccnc2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 2/20 0.49
PDPK1 O15530 1/20 0.49
TGFBR1 P36897 1/20 0.49
DYRK1A Q13627 12/20 0.42
NFATC1 O95644 6/20 0.42
GSK3B P49841 5/20 0.41
KIF11 P52732 2/20 0.40
CDK2 P24941 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CHUK O15111 1/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
IGF1R P08069 1/20 0.38
CYP1A2 P05177 1/20 0.38
METAP2 P50579 1/20 0.38
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL10193646 0.90 CDK5 (0.45) DYRK1AGSK3BKIF11CDK5CDK5R1
SCHEMBL3378612 0.87 TGFBR1 (0.52) IKBKEPDPK1TGFBR1DYRK1ANFATC1
SCHEMBL14877206 0.87 CDC7 (0.46) IKBKEPDPK1TGFBR1DYRK1AGSK3B
Formic Acid SCHEMBL248032 0.82 TGFBR1 (0.47) IKBKEPDPK1TGFBR1DYRK1ANFATC1
SCHEMBL2298429 0.76 TRPV1 (0.52) TGFBR1CYP1A2
SCHEMBL2302162 0.76 TGFBR1 (0.55) TGFBR1GSK3BKIF11CHUKCDK5
SCHEMBL3382050 0.76 IDO1 (0.40) IKBKEPDPK1TGFBR1GSK3BCDK2
SCHEMBL3386631 0.76 CDC7 (0.47) PDPK1DYRK1AGSK3BCDK2DYRK1B
SCHEMBL3390279 0.76 RIPK1 (0.48) TGFBR1DYRK1AGSK3BKIF11
SCHEMBL12441314 0.75 MPL (0.44) KIF11

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-2585461-B1 2,4-DIARYL-SUBSTITUTED [1,8]NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GMBH (DE) 2020-02-26 EP disclosed
US-8791113-B2 2,4-diaryl-substituted [1,8] naphthyridines as kinase inhibitors for use against cancer MERCK PATENT GMBH (DE) 2014-07-29 US disclosed
US-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-04-25 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-20130102603-A1 2,4-DIARYL - SUBSTITUTED [1,8] NAPHTHYRIDINES AS KINASE INHIBITORS FOR USE AGAINST CANCER TGFBR1, TAB1, TGFBR2 IKBKE 52/4885PDPK1 42/4885TGFBR1 1/4885

“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.