Sugi Predict

Sugi Predict / Compounds / SCHEMBL802439

SCHEMBL802439

SCHEMBL802439

Cc1nc(Nc2cc(NCc3ccccc3)nc(-c3ccccc3Cl)n2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.53
▸ CYP3A4 P08684 6/20 0.53
▸ CYP2C19 P33261 6/20 0.53
▸ CYP2D6 P10635 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPK1 P28482 4/20 0.53
▸ GBA1 P04062 1/20 0.53
▸ CLK4 Q9HAZ1 4/20 0.50
▸ AURKA O14965 1/20 0.50
▸ DAPK3 O43293 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ PAK4 O96013 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ LCK P06239 1/20 0.50
▸ FYN P06241 1/20 0.50
▸ CSF1R P07333 1/20 0.50
▸ RET P07949 1/20 0.50
▸ IGF1R P08069 1/20 0.50
▸ PDGFRB P09619 1/20 0.50
▸ FGFR1 P11362 1/20 0.50

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
SCHEMBL14164031 0.89 KDM4E (0.50) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL16371815 0.83 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL802096 0.77 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL802440 0.74 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL802194 0.73 GSK3A (0.72) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL802772 0.72 GSK3A (0.48) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL801817 0.69 SMN1; SMN2 (0.36) ALDH1A1MAPK1GSK3AGSK3BPRKAA1
SCHEMBL801847 0.69 HCRTR1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27498477 0.68 NR1H2 (0.59) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1
SCHEMBL802778 0.68 LMNA (0.45) CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1

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 17 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-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 CYP1A2 1818/4885CYP3A4 1976/4885CYP2C19 2691/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 CYP1A2 3042/4885CYP3A4 2929/4885CYP2C19 1702/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A CYP1A2 1818/4885CYP3A4 1976/4885CYP2C19 2691/4885

“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.