SCHEMBL3168792

SCHEMBL3168792

NC(=O)c1ccccc1C[CH]c1cccc(-c2ccc3c(N)n[nH]c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.50
PDPK1 O15530 5/20 0.48
CHEK1 O14757 6/20 0.45
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
AURKA O14965 2/20 0.41
AURKB Q96GD4 2/20 0.41
TGFBR1 P36897 1/20 0.41
ABL1 P00519 3/20 0.41
BCR P11274 3/20 0.41
SGK1 O00141 2/20 0.40
PLK4 O00444 1/20 0.40
ROCK2 O75116 1/20 0.40
CHEK2 O96017 1/20 0.40
EGFR P00533 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
LYN P07948 1/20 0.40

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
SCHEMBL3174551 0.90 PDPK1 (0.46) JAK2PDPK1CHEK1MKNK1MKNK2
SCHEMBL3175009 0.89 JAK2 (0.44) JAK2PDPK1CHEK1MKNK1MKNK2
SCHEMBL3168954 0.88 ABL1 (0.45) JAK2PDPK1CHEK1MKNK1MKNK2
SCHEMBL3172972 0.86 CHEK1 (0.43) JAK2PDPK1CHEK1MKNK1MKNK2
SCHEMBL3166853 0.85 JAK2 (0.42) JAK2MKNK1MKNK2ABL1BCR
SCHEMBL3173793 0.84 JAK2 (0.46) JAK2PDPK1CHEK1MKNK1MKNK2
SCHEMBL3165470 0.84 CHEK1 (0.40) JAK2CHEK1MKNK1MKNK2AURKA
SCHEMBL4798614 0.84 PDPK1 (0.47) JAK2PDPK1CHEK1MKNK1MKNK2
SCHEMBL4140352 0.84 JAK2 (0.45) JAK2PDPK1CHEK1MKNK1MKNK2
SCHEMBL4800934 0.82 JAK2 (0.44) JAK2PDPK1CHEK1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841504-B1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-19 EP disclosed
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed
US-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 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 (2 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-20060154915-A1 Substituted biaryl compounds as factor XIa inhibitors TFPI, F3, F12 JAK2 485/4885PDPK1 1904/4885CHEK1 2993/4885
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 JAK2 485/4885PDPK1 1904/4885CHEK1 2993/4885

“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.