SCHEMBL5133830

SCHEMBL5133830

Cc1ccnc(Nc2ccccc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
DHODH Q02127 1/20 0.46
ABL1 P00519 2/20 0.45
EGFR P00533 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
PRKCA P17252 1/20 0.45
ABL2 P42684 1/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 3/20 0.44
HPGD P15428 2/20 0.44
GRM4 Q14833 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ATM Q13315 2/20 0.42

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
SCHEMBL7443977 0.81 NOS3 (0.47) KMT2AMEN1DHODHABL1EGFR
Hydrochloric Acid SCHEMBL11127891 0.80 NOS3 (0.46) KMT2AMEN1DHODHABL1EGFR
SCHEMBL7236672 0.78 NPC1 (0.60) KMT2AMEN1DHODHCYP1A2CYP3A4
SCHEMBL9488233 0.78 DHODH (0.55) KMT2AMEN1DHODHEGFRMAPT
SCHEMBL2037022 0.77 DHODH (0.57) KMT2AMEN1DHODHABL1EGFR
SCHEMBL1854360 0.75 MAPK10 (0.38) DHODHRAB9ANPC1CDK2NOS3
SCHEMBL10814167 0.75 MAPT (0.57) KMT2AMEN1DHODHEGFRCYP1A2
SCHEMBL28531510 0.74 SRC (0.47) KMT2AMEN1DHODHCYP1A2CYP3A4
SCHEMBL17154860 0.74 SLC2A1 (0.54) DHODHCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL28811513 0.73 CXCR2 (0.42) DHODHCYP1A2CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908877-B2 Imidazo[1,5-a]pyridinium ion fluorophores, and methods of making and using the same INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-03-06 US claimed
US-20160264571-A1 IMIDAZO[1,5-a]PYRIDINIUM ION FLUOROPHORES, AND METHODS OF MAKING AND USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-09-15 US claimed
US-9371448-B2 Imidazo[1,5-a]pyridinium ion fluorophores, and methods of making and using the same INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-06-21 US claimed
US-20140248646-A1 IMIDAZO[1,5-a]PYRIDINIUM ION FLUOROPHORES, AND METHODS OF MAKING AND USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2014-09-04 US claimed
EP-3430013-A1 CARBAPENEM COMPOUNDS Orchid Pharma Limited (IN) 2019-01-23 EP disclosed
US-9908877-B2 Imidazo[1,5-a]pyridinium ion fluorophores, and methods of making and using the same INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-03-06 US disclosed
WO-2017158616-A1 CARBAPENEM COMPOUNDS ORCHID PHARMA LTD. (IN) 2017-09-21 WO disclosed
US-20160264571-A1 IMIDAZO[1,5-a]PYRIDINIUM ION FLUOROPHORES, AND METHODS OF MAKING AND USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-09-15 US disclosed
US-9371448-B2 Imidazo[1,5-a]pyridinium ion fluorophores, and methods of making and using the same INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-06-21 US disclosed
US-20140248646-A1 IMIDAZO[1,5-a]PYRIDINIUM ION FLUOROPHORES, AND METHODS OF MAKING AND USING THE SAME INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2014-09-04 US disclosed
US-7378412-B2 Pharmaceutical compounds NICOX S.A. (FR) 2008-05-27 US disclosed
EP-1861100-A1 3 , llB-CIS-DIHYDROTETRABENAZINE FOR THE TREATMENT OF A PROLIFERATIVE DISEASE OR AN INFLAMMATION Cambridge Laboratories (Ireland) Limited (IE) 2007-12-05 EP disclosed
WO-2007017643-A1 3 , llB-CIS-DIHYDROTETRABENAZINE FOR THE TREATMENT OF A PROLIFERATIVE DISEASE OR AN INFLAMMATION CAMBRIDGE LABORATORIES (IRELAND) LIMITED (IE) 2007-02-15 WO disclosed
US-20050261242-A1 Pharmaceutical compounds NICOX, S.A. 2005-11-24 US disclosed
US-6344561-B2 TREATMENT OF SKIN DISORDERS, INFLAMMATION, NERVE SYSTEM DISORDERS, CANCER ALLERGAN SALES, INC. 2002-02-05 US disclosed
WO-1991017172-A1 NOVEL MYCALAMIDES WITH ANTITUMOR AND ANTIVIRAL ACTIVITY HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1991-11-14 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-20050261242-A1 Pharmaceutical compounds CYP2B6, CYP2C19, MAOB KMT2A 1777/4885MEN1 1886/4885DHODH 621/4885
US-20160264571-A1 IMIDAZO[1,5-a]PYRIDINIUM ION FLUOROPHORES, AND METHODS OF MAKING AND USING THE SAME H1-5, IK, H1-0 KMT2A 2509/4885MEN1 1006/4885DHODH 2220/4885

“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.