SCHEMBL128983

SCHEMBL128983

[CH2]Cc1ccc(C#N)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
NAMPT P43490 1/20 0.36
BRD4 O60885 1/20 0.36
CHEK1 O14757 4/20 0.36
PARP14 Q460N5 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
GRM2 Q14416 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33

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
SCHEMBL452012 0.83 BRD4 (0.36) ARNAMPTBRD4CHEK1PARP14
SCHEMBL453185 0.79 CHEK1 (0.44) ARNAMPTBRD4CHEK1PARP14
SCHEMBL2643631 0.79 BRD4 (0.36) ARNAMPTBRD4CHEK1PARP14
SCHEMBL2372370 0.79 LOXL2 (0.48) ARNAMPTBRD4CHEK1EGLN2
SCHEMBL507109 0.79 AR (0.41) ARNAMPTBRD4CHEK1PARP14
SCHEMBL24146512 0.79 GAA (0.38) ARNAMPTBRD4CHEK1PARP14
SCHEMBL452013 0.79 BRD4 (0.36) ARNAMPTBRD4CHEK1PARP14
SCHEMBL453184 0.79 BRD4 (0.39) ARNAMPTBRD4CHEK1PARP14
SCHEMBL2760434 0.79 CYP2A6 (0.48) ARNAMPTBRD4CHEK1PARP14
SCHEMBL14153372 0.79 BRD4 (0.36) ARNAMPTBRD4CHEK1PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US claimed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP claimed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US claimed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP claimed
EP-3476829-B1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME UNIV FUDAN (CN) 2021-12-15 EP disclosed
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-12-01 US disclosed
US-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME UNIV FUDAN (CN) 2020-07-30 US disclosed
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same FUDAN UNIVERSITY (CN) 2020-05-12 US disclosed
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME FUDAN UNIVERSITY (CN) 2019-08-15 US disclosed
EP-3476829-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF, AND MANUFACTURING AND APPLICATION OF SAME Fudan University (CN) 2019-05-01 EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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 (5 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-20200239411-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA AR 426/4885NAMPT 581/4885BRD4 232/4885
US-20190248737-A1 BIARYL UREA DERIVATIVE OR SALT THEREOF AND PREPARATION PROCESS AND USE FOR THE SAME RORC, RORB, RORA AR 479/4885NAMPT 730/4885BRD4 203/4885
US-10647665-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA AR 479/4885NAMPT 730/4885BRD4 203/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 AR 1994/4885NAMPT 4472/4885BRD4 486/4885
US-10851050-B2 Biaryl urea derivative or salt thereof and preparation process and use for the same RORC, RORB, RORA AR 426/4885NAMPT 581/4885BRD4 232/4885

“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.