SCHEMBL1944089

SCHEMBL1944089

C=CCOC(=O)c1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
POLB P06746 2/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.47
SNCA P37840 1/20 0.47
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL30568667 0.77 POLB (0.61) TSHRPOLBRECQLKDM4ENAPRT
SCHEMBL2558377 0.77 POLB (0.61) TSHRPOLBRECQLKDM4ENAPRT
SCHEMBL1397897 0.77 CYP3A4 (0.59) TSHRKDM4ENAPRTGAAMEN1
SCHEMBL11779790 0.76 KDM4E (0.59) TSHRPOLBRECQLKDM4ENAPRT
SCHEMBL2215894 0.75 POLB (0.60) POLBRECQLGAACYP1A2CYP2C19
SCHEMBL17544250 0.75 CYP3A4 (0.45) TSHRPOLBKDM4EGAAMEN1
SCHEMBL27902698 0.75 SNCA (0.52) TSHRKDM4EMEN1KMT2AALDH1A1
SCHEMBL10421205 0.75 RECQL (0.58) TSHRPOLBRECQLKDM4ENAPRT
SCHEMBL8408307 0.75 MAPT (0.63) TSHRPOLBRECQLKDM4ENAPRT
SCHEMBL2359576 0.74 CYP3A4 (0.47) TSHRPOLBKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4962111-A Pyrazinoic acid esters as antituberculosis agents THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1990-10-09 US claimed
CN-115989224-A Plasma kallikrein inhibitors 默沙东有限责任公司 2023-04-18 CN disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
EP-2193130-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-06-09 EP disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
WO-2009033084-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-03-12 WO disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 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 (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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 TSHR 638/4885POLB 1523/4885RECQL 3453/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK TSHR 637/4885POLB 2626/4885RECQL 2979/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 TSHR 638/4885POLB 1523/4885RECQL 3453/4885

“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.