Sugi Predict

Sugi Predict / Compounds / SCHEMBL786497

SCHEMBL786497

SCHEMBL786497

Cc1cc(Nc2nc(-c3ccccc3)nc3c2CCCC3)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.56
▸ PDE4B Q07343 2/20 0.51
▸ LMNA P02545 1/20 0.44
▸ VCP P55072 3/20 0.44
▸ USP1 O94782 1/20 0.42
▸ WDR48 Q8TAF3 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ AURKA O14965 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ EIF2AK2 P19525 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.38

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
SCHEMBL786502 0.99 IGF1R (0.55) IGF1RPDE4BLMNAVCPUSP1
SCHEMBL6045523 0.83 ACHE (0.44) IGF1RPDE4BMAPTAURKASRC
SCHEMBL2202597 0.82 ACHE (0.43) IGF1RPDE4BMAPTAURKASRC
SCHEMBL801533 0.81 IGF1R (0.71) IGF1RPDE4BAURKASRCEIF2AK2
Chlorobenzene SCHEMBL27595359 0.81 ACHE (0.40) IGF1RALDH1A1
SCHEMBL801536 0.81 IGF1R (0.70) IGF1RPDE4BAURKASRCEIF2AK2
SCHEMBL802244 0.80 GSK3A (0.61) IGF1RPDE4BLMNAVCPUSP1
SCHEMBL2203865 0.79 ADRB2 (0.38) IGF1RVCP
SCHEMBL801830 0.79 GSK3A (0.60) IGF1RPDE4BLMNAVCPUSP1
SCHEMBL2204129 0.78 VCP (0.38) IGF1RLMNAVCPL3MBTL1MAPT

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 36 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
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
CN-100355750-C Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMA (US) 2007-12-19 — — CN 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-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

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 IGF1R 520/4885PDE4B 3555/4885LMNA 2620/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A IGF1R 540/4885PDE4B 3723/4885LMNA 4218/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 IGF1R 346/4885PDE4B 1895/4885LMNA 4146/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B IGF1R 477/4885PDE4B 2516/4885LMNA 2308/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 IGF1R 293/4885PDE4B 3468/4885LMNA 3063/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B IGF1R 400/4885PDE4B 3687/4885LMNA 3618/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B IGF1R 834/4885PDE4B 3656/4885LMNA 4048/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP IGF1R 617/4885PDE4B 1827/4885LMNA 3347/4885

“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.