Sugi Predict

Sugi Predict / Compounds / SCHEMBL786287

SCHEMBL786287

SCHEMBL786287

NCCCc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.55
▸ GSK3A P49840 4/20 0.55
▸ AURKA O14965 3/20 0.55
▸ SRC P12931 2/20 0.55
▸ EIF2AK2 P19525 1/20 0.55
▸ AURKB Q96GD4 1/20 0.55
▸ ABCG2 Q9UNQ0 5/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ PDE5A O76074 6/20 0.49
▸ GBA1 P04062 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL786046 0.90 GSK3B (0.54) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL13938217 0.90 GSK3B (0.57) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL785409 0.87 GSK3B (0.59) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL786205 0.87 GSK3B (0.54) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL801970 0.85 GSK3B (0.58) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL786252 0.85 GSK3A (0.58) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL785703 0.84 GSK3B (0.48) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL786487 0.82 GSK3B (0.55) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL785576 0.79 GSK3A (0.64) GSK3BGSK3AAURKASRCEIF2AK2
SCHEMBL786371 0.79 ABCG2 (0.52) GSK3BGSK3AAURKASRCEIF2AK2

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 47 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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
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-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-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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — 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
US-6696452-B2 GLYCOGEN SYNTHASE KINASE-3 AND AURORA-2 A SERINE/THREONINE PROTEIN KINASE INHIBITORS; ANTIDIABETIC AND ANTICANCER AGENTS AND ALZHEIMER'S DISEASE TREATMENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-02-24 — — US disclosed
US-6660731-B2 Alzheimer's disease; anticancer agents; antidiabetic agents VERTEX PHARMACEUTICALS INCORPORATED 2003-12-09 — — US disclosed
US-6638926-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-10-28 — — US disclosed
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 — — US disclosed
US-6610677-B2 Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia VERTEX PHARMACEUTICALS INCORPORATED 2003-08-26 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 GSK3B 4/4885GSK3A 3/4885AURKA 2/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 GSK3B 461/4885GSK3A 455/4885AURKA 191/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3B 1/4885GSK3A 2/4885AURKA 8/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GSK3B 3/4885GSK3A 4/4885AURKA 2/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B GSK3B 3/4885GSK3A 4/4885AURKA 2/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP GSK3B 1/4885GSK3A 2/4885AURKA 255/4885

“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.