Sugi Predict

Sugi Predict / Compounds / SCHEMBL801727

SCHEMBL801727

SCHEMBL801727

FC(F)(F)c1ccccc1-c1cc(Nc2n[nH]c3ccccc23)nnc1OCCN1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ MAPK8 P45983 4/20 0.38
▸ MAPK10 P53779 4/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ HTR1A P08908 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ GRM4 Q14833 3/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ MET P08581 1/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ CYP2D6 P10635 4/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ GAK O14976 1/20 0.35
▸ DYRK3 O43781 1/20 0.35

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
SCHEMBL802349 0.85 CYP1A2 (0.45) ACP1MAPK8MAPK10SIGMAR1HTR1A
SCHEMBL801725 0.82 GRM4 (0.41) MAPK8MAPK10GRM4CYP1A2CYP3A4
SCHEMBL801733 0.76 FADS1 (0.42) MAPK8MAPK10GRM4CYP1A2CYP2D6
SCHEMBL802748 0.76 FADS1 (0.42) MAPK8MAPK10GRM4CYP3A4JAK2
SCHEMBL802362 0.72 FADS1 (0.42) MAPK8MAPK10GRM4
SCHEMBL805519 0.71 ACP1 (0.41) ACP1MAPK8MAPK10HTR1ADRD2
SCHEMBL802405 0.71 EGFR (0.37) MAPK8MAPK10CYP1A2CYP2D6CYP3A4
SCHEMBL9917393 0.70 FGFR1 (0.48) LTA4HDRD2FGFR1FLT1MET
SCHEMBL802756 0.70 USP1 (0.41) MAPK8MAPK10GRM4CYP1A2CYP2D6
SCHEMBL13055240 0.69 PARP1 (0.36) ACP1MAPK10DYRK1ALMNA

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 18 patents. 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-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-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — 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-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-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-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
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A ACP1 613/4885LTA4H 3951/4885PTGS2 1851/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 ACP1 601/4885LTA4H 4751/4885PTGS2 4517/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A ACP1 613/4885LTA4H 3951/4885PTGS2 1851/4885

“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.