Sugi Predict

Sugi Predict / Compounds / SCHEMBL786361

SCHEMBL786361

SCHEMBL786361

Cc1cc(Nc2nc(N3CCC(C)CC3)nc3ccccc23)[nH]n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 3/20 0.65
▸ PAK1 Q13153 2/20 0.65
▸ HTR2A P28223 7/20 0.50
▸ HRH4 Q9H3N8 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HTR3A P46098 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL786824 0.90 PAK4 (0.53) PAK4PAK1HTR2AHRH4KDM4E
SCHEMBL786819 0.89 HTR2A (0.64) PAK4PAK1HTR2AHRH4KDM4E
SCHEMBL802188 0.89 KDM4E (0.57) PAK4PAK1HTR2AHRH4KDM4E
SCHEMBL786228 0.89 KDM4E (0.57) PAK4PAK1HTR2AHRH4KDM4E
SCHEMBL786855 0.88 HRH4 (0.65) PAK4PAK1HTR2AHRH4ALDH1A1
SCHEMBL802259 0.88 CCR4 (0.59) PAK4PAK1HTR2AHRH4KDM4E
SCHEMBL786392 0.88 PAK4 (0.53) PAK4PAK1HTR2AHRH4KDM4E
SCHEMBL786704 0.87 PAK4 (0.68) PAK4PAK1HTR2AHRH4KDM4E
SCHEMBL786651 0.87 HTR2A (0.59) PAK4PAK1HTR2AHRH4KDM4E
SCHEMBL801569 0.86 HTR2A (0.50) PAK4PAK1HTR2AHRH4KDM4E

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 40 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-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 — — US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 — — US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7713983-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-11 — — 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-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 PAK4 720/4885PAK1 588/4885HTR2A 2640/4885
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A PAK4 364/4885PAK1 479/4885HTR2A 3019/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 PAK4 324/4885PAK1 335/4885HTR2A 3780/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PAK4 734/4885PAK1 746/4885HTR2A 2735/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 PAK4 973/4885PAK1 702/4885HTR2A 3676/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PAK4 466/4885PAK1 465/4885HTR2A 2192/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B PAK4 412/4885PAK1 568/4885HTR2A 3105/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP PAK4 235/4885PAK1 359/4885HTR2A 2487/4885

“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.