SCHEMBL2351969

SCHEMBL2351969

COC(=O)c1cnn2cc(OC)cc(Br)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 4/20 0.48
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48
CYP2C9 P11712 2/20 0.40
MEN1 O00255 1/20 0.40
KDR P35968 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
F2 P00734 1/20 0.39
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
CYP2D6 P10635 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PDE2A O00408 1/20 0.36
EPHB3 P54753 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL20906727 0.87 LCK (0.41) CYP1A2CYP2C19KMT2ACYP3A4PKM
SCHEMBL18390935 0.87 ALDH1A1 (0.41) KMT2AMEN1KDRKDM4EALDH1A1
SCHEMBL23647914 0.84 KMT2A (0.40) CYP1A2CYP2C19KMT2ACYP3A4PKM
SCHEMBL22660434 0.83 FGFR1 (0.37) CYP1A2CYP2C19KMT2ACYP3A4PKM
SCHEMBL1907994 0.79 KMT2A (0.42) CYP1A2CYP2C19KMT2ACYP3A4PKM
SCHEMBL25238319 0.78 ALDH1A1 (0.43) CYP1A2CYP2C19KMT2ACYP2C9KDM4E
SCHEMBL24329437 0.77 KMT2A (0.43) CYP1A2CYP2C19KMT2ACYP3A4PKM
SCHEMBL25780799 0.77 ALDH1A1 (0.42) KMT2AMEN1KDRALDH1A1MAP4K4
SCHEMBL16914025 0.76 KMT2A (0.42) CYP1A2CYP2C19KMT2ACYP3A4PKM
SCHEMBL2059668 0.75 KMT2A (0.50) CYP1A2CYP2C19KMT2ACYP3A4PKM

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
US-20180148447-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE IGNYTA, INC. (US) 2018-05-31 US disclosed
EP-3309160-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE Ignyta, Inc. (US) 2018-04-18 EP disclosed
US-9914731-B2 Pyrazolo[1,5-a]pyridine derivatives and methods of their use IGNYTA, INC. (US) 2018-03-13 US disclosed
EP-3087070-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE IGNYTA INC (US) 2017-11-08 EP disclosed
US-20160318929-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE CEPHALON, INC. 2016-11-03 US disclosed
EP-3087070-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE Ignyta, Inc. (US) 2016-11-02 EP disclosed
WO-2015100117-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE CEPHALON, INC. (US) 2015-07-02 WO disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 CYP1A2 4590/4885CYP2C19 4746/4885KMT2A 2181/4885
US-20180148447-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE AXL, FLT3, ERBB2 CYP1A2 2710/4885CYP2C19 1516/4885KMT2A 2091/4885
US-20160318929-A1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND METHODS OF THEIR USE AXL, FLT3, ERBB2 CYP1A2 2710/4885CYP2C19 1516/4885KMT2A 2091/4885

“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.