SCHEMBL5405607

SCHEMBL5405607

OCc1cc2nnc(-c3ccccc3)n2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
ABL1 P00519 1/20 0.38
PDGFRA P16234 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CDK7 P50613 1/20 0.38
BTK Q06187 1/20 0.38
MAP4K2 Q12851 1/20 0.38
AURKB Q96GD4 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
BRD4 O60885 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
CREBBP Q92793 1/20 0.36
CXCR2 P25025 1/20 0.35
TSHR P16473 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34

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
SCHEMBL5416398 0.88 ABL1 (0.36) KMT2AABL1PDGFRACSNK1A1CDK7
SCHEMBL5410160 0.86 RAD51 (0.43) KMT2ACXCR2TSHRL3MBTL1KDM4E
SCHEMBL5416442 0.86 ALDH1A1 (0.36) KMT2ADYRK1BCXCR2KDM4EHSD17B10
SCHEMBL5413319 0.85 NT5E (0.44) CXCR2TSHRKDM4EHSD17B10HPGD
SCHEMBL5414047 0.85 KDM4E (0.36) CXCR2KDM4EHTT
SCHEMBL5410751 0.84 KDM4E (0.38) KMT2AABL1PDGFRACSNK1A1CDK7
SCHEMBL2267352 0.77 KDM4E (0.53) KMT2AABL1PDGFRACSNK1A1CDK7
SCHEMBL2270872 0.77 KDM4E (0.53) KMT2AABL1PDGFRACSNK1A1CDK7
SCHEMBL2271082 0.75 TP53 (0.41) KMT2AABL1PDGFRACSNK1A1CDK7
SCHEMBL2646126 0.75 ALDH1A1 (0.40) KMT2AABL1PDGFRACSNK1A1CDK7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362049-B1 PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES OREAL (FR) 2006-06-21 EP claimed
US-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2004-05-13 US claimed
EP-1362049-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP claimed
WO-2002064596-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2002-08-22 WO claimed
US-7192452-B2 Pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2007-03-20 US disclosed
EP-1362049-B1 PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES OREAL (FR) 2006-06-21 EP disclosed
US-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres L'OREAL S.A. (FR) 2004-05-13 US disclosed
EP-1372583-A1 OXIDATION DYEING COMPOSITION CONTAINING AT LEAST ONE 3-AMINO PYRAZOLO- 1,5-A]-PYRIDINE OXIDATION BASE AND AT LEAST ONE PARTICULAR PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2004-01-02 EP disclosed
EP-1362049-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2003-11-19 EP disclosed
WO-2002076417-A1 OXIDATION DYEING COMPOSITION CONTAINING AT LEAST ONE 3-AMINO PYRAZOLO-[1,5-A]-PYRIDINE OXIDATION BASE AND AT LEAST ONE PARTICULAR PYRAZOLOTRIAZOLE COUPLING AGENT L'OREAL (FR) 2002-10-03 WO disclosed
WO-2002064596-A1 NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES L'OREAL (FR) 2002-08-22 WO 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 (1 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-20040088801-A1 Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres KRT18, CYC1, CBR3 KMT2A 2968/4885ABL1 4446/4885PDGFRA 2929/4885

“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.