SCHEMBL4047668

SCHEMBL4047668

O=[N+]([O-])c1n[nH]c2cccc(Cc3ccccc3)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RIPK1 Q13546 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
EGFR P00533 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 4/20 0.36
MAPK8 P45983 1/20 0.36
AR P10275 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
CDK2 P24941 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL8470320 0.77 MMP2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6854925 0.75 GAA (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5315808 0.75 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1899541 0.74 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1253994 0.74 NOS1 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL31504045 0.73 PDPK1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL14353198 0.73 PDPK1 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7745040 0.72 KDM4E (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5311780 0.71 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5312171 0.71 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694683-A4 SYNTHETIC PROCESS BRISTOL MYERS SQUIBB CO (US) 2009-06-24 EP disclosed
CN-101263143-A Crystalline forms of a pyrrolotriazine compound BRISTOL MYERS SQUIBB CO (US) 2008-09-10 CN disclosed
EP-1888590-A2 CRYSTALLINE FORMS OF A PYRROLOTRIAZINE COMPOUND Brystol-Myers Squibb Company (US) 2008-02-20 EP disclosed
WO-2006135796-A2 CRYSTALLINE FORMS OF A PYRROLOTRIAZINE COMPOUND BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-21 WO disclosed
US-7102001-B2 Process for preparing pyrrolotriazine BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-05 US disclosed
EP-1694683-A2 SYNTHETIC PROCESS Bristol-Myers Squibb Company (US) 2006-08-30 EP disclosed
US-20060014741-A1 Synthetic process, and crystalline forms of a pyrrolotriazine compound BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US disclosed
US-20050209454-A1 Synthetic process BRISTOL-MYERS SQUIBB COMPANY 2005-09-22 US disclosed
WO-2005058245-A2 SYNTHETIC PROCESS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-30 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 (2 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-20050209454-A1 Synthetic process ERBB2, EGFR, ERBB4 CYP1A2 2817/4885CYP3A4 1137/4885CYP2D6 1104/4885
US-20060014741-A1 Synthetic process, and crystalline forms of a pyrrolotriazine compound ERBB2, FGFR1, ERBB4 CYP1A2 2326/4885CYP3A4 1100/4885CYP2D6 1290/4885

“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.