SCHEMBL4140354

SCHEMBL4140354

Nc1n[nH]c2cc(-c3csc(C(N)Cc4ccccc4)c3)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.54
▸ SGK1 O00141 2/20 0.50
▸ MKNK2 Q9HBH9 3/20 0.48
▸ MKNK1 Q9BUB5 2/20 0.48
▸ PDPK1 O15530 6/20 0.47
▸ AURKB Q96GD4 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ TGFBR1 P36897 1/20 0.44
▸ F11 P03951 7/20 0.43
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ CDC7 O00311 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PAK4 O96013 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ CDK2 P24941 1/20 0.42

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
SCHEMBL4798617 0.81 F11 (0.57) JAK2SGK1MKNK2MKNK1PDPK1
SCHEMBL3168797 0.80 JAK2 (0.62) JAK2SGK1MKNK2MKNK1PDPK1
SCHEMBL3173840 0.80 JAK2 (0.62) JAK2SGK1MKNK2MKNK1PDPK1
SCHEMBL3177340 0.80 JAK2 (0.62) JAK2SGK1MKNK2MKNK1PDPK1
SCHEMBL13657339 0.79 F11 (0.52) JAK2SGK1MKNK2MKNK1F11
SCHEMBL4147255 0.79 JAK2 (0.48) JAK2SGK1MKNK2MKNK1PDPK1
SCHEMBL3173800 0.78 JAK2 (0.56) JAK2SGK1MKNK2MKNK1PDPK1
SCHEMBL3174554 0.78 JAK2 (0.56) JAK2SGK1MKNK2MKNK1PDPK1
SCHEMBL3169617 0.76 JAK2 (0.53) JAK2SGK1MKNK2MKNK1PDPK1
SCHEMBL3175017 0.76 JAK2 (0.53) JAK2SGK1MKNK2MKNK1PDPK1

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 641/4885SGK1 1575/4885MKNK2 1572/4885

“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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