Sugi Predict

Sugi Predict / Compounds / SCHEMBL786647

SCHEMBL786647

SCHEMBL786647

Cc1cc(Nc2cc(Cl)nc(-c3ccccc3)n2)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.55
▸ ABCG2 Q9UNQ0 12/20 0.50
▸ ABCC1 P33527 7/20 0.49
▸ ABCB1 P08183 6/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ GBA1 P04062 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AURKA O14965 2/20 0.45
▸ GSK3A P49840 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ SRC P12931 1/20 0.44
▸ EIF2AK2 P19525 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ IGF1R P08069 1/20 0.44

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
SCHEMBL786224 0.89 ABCG2 (0.64) LMNAABCG2ABCC1ABCB1MEN1
SCHEMBL786645 0.83 ABCG2 (0.47) ABCG2ABCC1ABCB1MEN1NPC1
SCHEMBL786524 0.81 ITK (0.66) LMNAABCG2ABCC1ABCB1MEN1
SCHEMBL3804199 0.81 ITK (0.66) LMNAABCG2AURKAGSK3AGSK3B
SCHEMBL786491 0.80 MEN1 (0.58) LMNAABCG2ABCC1ABCB1MEN1
SCHEMBL786383 0.78 ABCG2 (0.61) LMNAABCG2ABCC1ABCB1MEN1
SCHEMBL2203730 0.78 MAPT (0.50) LMNAABCG2ABCC1ABCB1MEN1
SCHEMBL30702750 0.78 PAK4 (0.38) LMNAMEN1NPC1RAB9AKMT2A
SCHEMBL14026511 0.78 PAK4 (0.38) LMNAMEN1NPC1RAB9AKMT2A
SCHEMBL596714 0.77 GRM5 (0.39) LMNAMEN1NPC1RAB9AKMT2A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
EP-1317448-B2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-05-04 — — EP disclosed
CN-1926132-B Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA CO LTD 2010-12-29 — — CN disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
EP-1317450-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2003-06-11 — — EP disclosed
EP-1317449-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2003-06-11 — — EP disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 — — US disclosed
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-24 — — US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 — — US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — US disclosed
WO-2002022605-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — WO disclosed
WO-2002022604-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-03-21 — — 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 (8 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A LMNA 2620/4885ABCG2 1059/4885ABCC1 971/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A LMNA 4218/4885ABCG2 1614/4885ABCC1 3037/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 LMNA 4146/4885ABCG2 2916/4885ABCC1 2686/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B LMNA 2308/4885ABCG2 910/4885ABCC1 933/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 LMNA 3063/4885ABCG2 2285/4885ABCC1 2374/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B LMNA 3618/4885ABCG2 1775/4885ABCC1 2110/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B LMNA 4048/4885ABCG2 1874/4885ABCC1 2787/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP LMNA 3347/4885ABCG2 1382/4885ABCC1 1828/4885

“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.