Sugi Predict

Sugi Predict / Compounds / SCHEMBL785477

SCHEMBL785477

SCHEMBL785477

Cc1cc(=O)[nH]c(-c2ccccc2C(F)(F)F)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ POLB P06746 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ TRPA1 O75762 2/20 0.45
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ HSD11B1 P28845 1/20 0.44
▸ PIK3C3 Q8NEB9 1/20 0.43

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
SCHEMBL957555 0.84 POLB (0.55) KDM4EHPGDHSD17B10GAAMAPT
SCHEMBL801944 0.81 GSK3B (0.56) KDM4EHPGDHSD17B10GAAMAPT
SCHEMBL801872 0.80 PTGES (0.47) KDM4EHPGDHSD17B10POLBNPSR1
SCHEMBL959520 0.79 PLAT (0.46) KDM4EHPGDHSD17B10POLBNPSR1
SCHEMBL802491 0.79 PTGES (0.44) KDM4EHPGDGAAPOLBNPSR1
SCHEMBL801874 0.78 TGFBR1 (0.45) HPGDPOLBNPSR1KMT2AHDAC3
SCHEMBL801881 0.78 GSK3B (0.63) HPGDPOLBNPSR1HDAC3HDAC7
SCHEMBL801866 0.78 PARP1 (0.45) KDM4EHPGDHSD17B10POLBHDAC3
SCHEMBL786304 0.76 PTGES (0.44) KDM4EHPGDHSD17B10POLBNPSR1
SCHEMBL13851602 0.76 KDM4E (0.64) KDM4EHPGDHSD17B10GAAMAPT

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 71 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-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 (7 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 KDM4E 975/4885HPGD 4652/4885HSD17B10 3526/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 KDM4E 596/4885HPGD 3930/4885HSD17B10 3742/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B KDM4E 921/4885HPGD 4576/4885HSD17B10 3663/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 KDM4E 1040/4885HPGD 4652/4885HSD17B10 3806/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B KDM4E 605/4885HPGD 4599/4885HSD17B10 2554/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B KDM4E 1142/4885HPGD 3193/4885HSD17B10 2152/4885
US-20030078166-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, GSK3A, GSKIP KDM4E 1005/4885HPGD 3429/4885HSD17B10 3227/4885

“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.