SCHEMBL127738

SCHEMBL127738

O=c1[nH]ncc2c1c(Cc1ccc(F)cc1)cn2COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.43
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
PLA2G7 Q13093 3/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TK1 P04183 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 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
SCHEMBL130003 0.90 UPP1 (0.39) UPP1MEN1KMT2AALDH1A1CYP2C19
SCHEMBL130534 0.79 ALDH1A1 (0.39) UPP1TSHRKDM4EALDH1A1CYP2C19
SCHEMBL127842 0.77 ALDH1A1 (0.40) UPP1KDM4EALDH1A1MAPTCYP2C19
SCHEMBL128833 0.76 ALDH1A1 (0.39) UPP1TSHRKMT2AKDM4ELMNA
SCHEMBL132426 0.76 ALDH1A1 (0.39) UPP1KDM4EALDH1A1CYP2C19CYP2C9
SCHEMBL127801 0.72 UPP1 (0.45) UPP1TSHRKDM4ELMNAALDH1A1
SCHEMBL128976 0.71 HSD17B10 (0.42) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL128689 0.67 UPP1 (0.41) UPP1ALDH1A1HSD17B10
SCHEMBL6719842 0.66 ALDH1A1 (0.52) UPP1TSHRKMT2AKDM4ELMNA
SCHEMBL1288013 0.65 UPP1 (0.59) UPP1ALDH1A1TK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 UPP1 4479/4885TSHR 1420/4885MEN1 3295/4885

“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.