SCHEMBL165738

SCHEMBL165738

c1ccc2nc(Nc3cc[nH]n3)ncc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.45
ACVR1 Q04771 1/20 0.44
MAP3K5 Q99683 2/20 0.43
FDPS P14324 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
HTR3A P46098 1/20 0.37
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
NR4A1 P22736 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR3 Q99500 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GPR3 P46089 1/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
NCF1 P14598 1/20 0.33
IGF1R P08069 1/20 0.32

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
SCHEMBL6467426 0.79 MAP3K5 (0.54) ROCK1ACVR1MAP3K5FDPSPCSK9
SCHEMBL830110 0.79 ROCK1 (0.46) ROCK1ACVR1MAP3K5FDPSPCSK9
SCHEMBL1133352 0.76 KMT2A (0.48) ROCK1ACVR1MAP3K5MEN1KMT2A
SCHEMBL17822136 0.74 CDK1 (0.34) KDM4ECDK1CDK2
SCHEMBL167891 0.73 MAP3K5 (0.60) ROCK1MAP3K5MEN1KMT2ACYP1A2
SCHEMBL31381352 0.73 MAP3K5 (0.60) ROCK1MAP3K5MEN1KMT2ACYP1A2
Benzene SCHEMBL28188863 0.73 MAP3K5 (0.60) ROCK1MAP3K5MEN1KMT2ACYP1A2
SCHEMBL27770482 0.73 MAP3K5 (0.60) ROCK1MAP3K5MEN1KMT2ACYP1A2
SCHEMBL589542 0.72 ACHE (0.36) MEN1KMT2ACDK1CDK2
SCHEMBL5113027 0.72 CRHBP (0.32)

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611253-B2 Solid forms comprising optically active pyrazolylaminoquinazoline, compositions thereof, and uses therewith AMBIT BIOSCIENCES CORPORATION (US) 2017-04-04 US disclosed
US-9611253-B2 Solid forms comprising optically active pyrazolylaminoquinazoline, compositions thereof, and uses therewith AMBIT BIOSCIENCES CORPORATION (US) 2017-04-04 US disclosed
US-9611253-B2 Solid forms comprising optically active pyrazolylaminoquinazoline, compositions thereof, and uses therewith AMBIT BIOSCIENCES CORPORATION (US) 2017-04-04 US disclosed
EP-2611792-B1 HYDROBROMIDE SALTS OF A PYRAZOLYLAMINOQUINAZOLINE AMBIT BIOSCIENCES CORP (US) 2017-02-01 EP disclosed
EP-2611795-B1 AN OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2016-05-04 EP disclosed
WO-2016059149-A1 METHOD OF TESTING SYSTEMIC RELEASE OF AZD1152 HQPA OR BIOEQUIVALENTS ASTRAZENECA AB (SE) 2016-04-21 WO disclosed
EP-2611796-B1 AN OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP (US) 2016-04-20 EP disclosed
US-9295672-B2 Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-03-29 US disclosed
US-9295672-B2 Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-03-29 US disclosed
US-9295672-B2 Optically active pyrazolylaminoquinazoline, and pharmaceutical compositions and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-03-29 US disclosed
US-20120053193-A1 OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2012-03-01 US disclosed
US-20120053193-A1 OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2012-03-01 US disclosed
US-20120053194-A1 OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2012-03-01 US disclosed
US-20120053195-A1 HYDROBROMIDE SALTS OF A PYRAZOLYLAMINOQUINAZOLINE AMBIT BIOSCIENCES CORP. (US) 2012-03-01 US disclosed
US-20100196907-A1 MARKERS TO PREDICT AND MONITOR RESPONSE TO AURORA KINASE B INHIBITOR THERAPY ABBOTT LABORATORIES (US) 2010-08-05 US disclosed
WO-2010088470-A1 MARKERS TO PREDICT AND MONITOR RESPONSE TO AURORA KINASE B INHIBITOR THERAPY ABBOTT LABORATORIES (US) 2010-08-05 WO disclosed
CN-101443339-A Process for the preparation of pyrazolylaminoquinazoline derivatives comprising a phosphate group ASTRAZENECA AB (SE) 2009-05-27 CN disclosed
US-20080269500-A1 Process for the Preparation of 4-Aminopyrazole Derivatives ASTRAZENECA AB (SE) 2008-10-30 US disclosed
EP-1931639-A2 PROCESS Astra Zeneca AB (SE) 2008-06-18 EP disclosed
WO-2007034183-A2 PROCESS FOR THE PREPARATION OF 4-AMINOPYRAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2007-03-29 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 (4 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-20120053195-A1 HYDROBROMIDE SALTS OF A PYRAZOLYLAMINOQUINAZOLINE VHL, TP53, GLS ROCK1 3719/4885ACVR1 4678/4885MAP3K5 1212/4885
US-20120053194-A1 OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK3, JAK2 ROCK1 288/4885ACVR1 2268/4885MAP3K5 31/4885
US-20080269500-A1 Process for the Preparation of 4-Aminopyrazole Derivatives CYP3A4, CYP3A43, CYP3A5 ROCK1 4284/4885ACVR1 3630/4885MAP3K5 465/4885
US-20120053193-A1 OPTICALLY ACTIVE PYRAZOLYLAMINOQUINAZOLINE, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK3, JAK2 ROCK1 288/4885ACVR1 2421/4885MAP3K5 12/4885

“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.