SCHEMBL2861744

SCHEMBL2861744

Clc1cc(-n2cnc(Nc3ccccc3)n2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ FGFR3 P22607 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ EPHA2 P29317 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL13653039 0.86 MAPK10 (0.35) MAPK10PTK2
SCHEMBL2854589 0.83 KCNH3 (0.42) MAPTCDK2MAPK1CHEK1IKBKB
SCHEMBL2859108 0.81 CA1 (0.47) CDK2IKBKBAURKACDK1
SCHEMBL14489538 0.80 TAAR1 (0.44) MAPTCDK2MAPK1CHEK1IKBKB
SCHEMBL14499885 0.80 CDK2 (0.36) MAPTCDK2MAPK1CHEK1IKBKB
SCHEMBL2852053 0.78 NFKB1 (0.38) MAPTMAPK1NPC1PIM1CSNK2A1
SCHEMBL2855000 0.77 HRH4 (0.46) MAPTCDK2NPC1CDK1RAB9A
SCHEMBL13647853 0.77 HRH4 (0.46) MAPTCDK2NPC1CDK1RAB9A
SCHEMBL13647887 0.77 HRH4 (0.46) MAPTCDK2NPC1CDK1RAB9A
SCHEMBL13513927 0.76 SMG1 (0.34) MAPTCDK2MAPK1CHEK1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663211-B1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-01-20 — — EP disclosed
EP-1663211-B1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-01-20 — — EP disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
EP-1663211-A1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 — — EP disclosed
US-20050261268-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-11-24 — — US disclosed
WO-2005013982-A1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 — — 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 (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-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 MAPT 599/4885CDK2 31/4885MAPK1 187/4885
US-20050261268-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 MAPT 599/4885CDK2 31/4885MAPK1 187/4885

“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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