SCHEMBL3700367

SCHEMBL3700367

CCc1nc(=O)c2cn[nH]c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.49
TNKS2 Q9H2K2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.38
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
PARP1 P09874 1/20 0.34
PRKCI P41743 1/20 0.34
PDE4B Q07343 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4627473 0.78 XDH (0.51) XDHSMN1; SMN2ALDH1A1LMNAJAK2
Oxypurinol SCHEMBL8257647 0.74 XDH (0.48) XDHSMN1; SMN2ALDH1A1LMNAJAK2
SCHEMBL8241597 0.74 XDH (0.44) XDHSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL24351056 0.74 XDH (0.44) XDHALDH1A1LMNAJAK2JAK1
SCHEMBL24714540 0.74 XDH (0.44) XDHSMN1; SMN2HTTALDH1A1LMNA
SCHEMBL27126276 0.68 KDM5A (0.52) TNKS2SMN1; SMN2ALDH1A1HPGDPARP1
SCHEMBL9384223 0.68 DDAH1 (0.58) TNKS2SMN1; SMN2HTTALDH1A1LMNA
SCHEMBL18742150 0.67 TNKS2 (0.50) TNKS2SMN1; SMN2HTTALDH1A1PARP1
SCHEMBL1847814 0.65 CYP1A2 (0.41) XDHLMNA
SCHEMBL15832246 0.64 ROCK2 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020224656-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2020-11-12 WO disclosed
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2010-01-14 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 (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-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADRB1, ADRB2, ADRA2B XDH 1461/4885TNKS2 3853/4885SMN1; SMN2 2483/4885

“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.