SCHEMBL14633242

SCHEMBL14633242

O=c1[nH]nc(-c2ccccc2)c2ncncc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.63
ATM Q13315 1/20 0.63
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ROCK1 Q13464 8/20 0.47
ROCK2 O75116 3/20 0.47
PKM P14618 1/20 0.46
PIM1 P11309 2/20 0.46
YTHDC1 Q96MU7 1/20 0.43
YTHDF2 Q9Y5A9 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL14632954 0.88 NPSR1 (0.46) NPSR1ATMKDM4ESMN1; SMN2ROCK1
SCHEMBL14633312 0.81 LRRK2 (0.47) NPSR1ATMKDM4ESMN1; SMN2ROCK1
SCHEMBL581143 0.78 NPSR1 (1.00) NPSR1ATMKDM4ESMN1; SMN2ROCK1
SCHEMBL29870198 0.78 NPSR1 (1.00) NPSR1ATMKDM4ESMN1; SMN2ROCK1
SCHEMBL1251253 0.78 NPSR1 (0.67) NPSR1ATMKDM4ESMN1; SMN2ROCK1
SCHEMBL1270888 0.78 PIM1 (0.54) KDM4ESMN1; SMN2PIM1YTHDC1YTHDF2
SCHEMBL14633614 0.77 ALDH1A1 (0.43) NPSR1ATMKDM4EROCK1ROCK2
SCHEMBL1271230 0.76 PIM1 (0.51) NPSR1ATMKDM4ESMN1; SMN2PIM1
SCHEMBL29617744 0.76 PIM1 (0.51) NPSR1ATMKDM4ESMN1; SMN2PIM1
SCHEMBL24997341 0.73 NPSR1 (0.55) NPSR1ATMKDM4ESMN1; SMN2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051327-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2015-06-09 US disclosed
US-20140296220-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBVIE INC (US) 2014-10-02 US disclosed
US-8796289-B2 Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases ABBVIE INC. (US) 2014-08-05 US disclosed
WO-2013013031-A1 PYRIDAZINO [4, 5 -D] PYRIMIDIN- (6H) -ONE INHIBITORS OF WEE - 1 KINASE ABBVIE INC. (US) 2013-01-24 WO disclosed
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2013-01-24 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 (2 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-20140296220-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 NPSR1 2665/4885ATM 593/4885KDM4E 329/4885
US-20130023523-A1 PYRIDAZINO[4,5-D]PYRIMIDIN-5(6H)-ONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 NPSR1 2665/4885ATM 593/4885KDM4E 329/4885

“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.