SCHEMBL4147255

SCHEMBL4147255

Nc1n[nH]c2cc(-c3cc(C(N)Cc4ccccc4)sc3Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.48
▸ MKNK2 Q9HBH9 3/20 0.46
▸ MKNK1 Q9BUB5 2/20 0.46
▸ SGK1 O00141 4/20 0.45
▸ PDPK1 O15530 3/20 0.45
▸ AURKB Q96GD4 3/20 0.45
▸ AURKA O14965 2/20 0.45
▸ TGFBR1 P36897 2/20 0.45
▸ F11 P03951 7/20 0.44
▸ PRSS1 P07477 3/20 0.44
▸ PRSS2 P07478 3/20 0.44
▸ PRSS3 P35030 3/20 0.44
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ SCN5A Q14524 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ ROCK1 Q13464 1/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ ROCK2 O75116 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
SCHEMBL13657381 0.80 F11 (0.51) MKNK2MKNK1SGK1F11PRSS1
SCHEMBL3166860 0.80 JAK2 (0.49) JAK2MKNK2MKNK1SGK1PDPK1
SCHEMBL4140354 0.79 JAK2 (0.54) JAK2MKNK2MKNK1SGK1PDPK1
SCHEMBL13650879 0.75 F11 (0.70) F11PRSS1PRSS2PRSS3F10
SCHEMBL5604368 0.75 F11 (0.70) F11PRSS1PRSS2PRSS3F10
SCHEMBL3166849 0.75 JAK2 (0.49) JAK2MKNK2MKNK1SGK1PDPK1
SCHEMBL3172981 0.75 JAK2 (0.49) JAK2MKNK2MKNK1SGK1PDPK1
SCHEMBL3168797 0.75 JAK2 (0.62) JAK2MKNK2MKNK1SGK1PDPK1
SCHEMBL3173840 0.75 JAK2 (0.62) JAK2MKNK2MKNK1SGK1PDPK1
SCHEMBL3177340 0.75 JAK2 (0.62) JAK2MKNK2MKNK1SGK1PDPK1

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
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 — — US claimed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US claimed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 — — US disclosed
US-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 — — US disclosed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 — — WO 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-20090253766-A1 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS TFPI, F12, F11 JAK2 641/4885MKNK2 1572/4885MKNK1 1432/4885

“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.

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