SCHEMBL7710641

SCHEMBL7710641

O=c1[nH]c(C2CCNCC2)nc2cc(F)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.47
TNKS O95271 4/20 0.46
TNKS2 Q9H2K2 4/20 0.46
CDC7 O00311 1/20 0.45
PIM1 P11309 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
PARP1 P09874 4/20 0.43
KCNH2 Q12809 2/20 0.43
MPO P05164 1/20 0.43
ROCK2 O75116 2/20 0.43
CDK1 P06493 1/20 0.42
CDK9 P50750 1/20 0.42
KHK P50053 1/20 0.40

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
SCHEMBL7715490 0.89 ROCK2 (0.51) TNKSTNKS2CDC7PIM1CSNK2B
SCHEMBL29499002 0.88 PARP14 (0.48) PARP14CDC7MAPK13RAF1MAPK9
SCHEMBL7714086 0.84 KMT2A (0.47) CDC7PIM1CSNK2BCSNK2A1ROCK2
SCHEMBL7715493 0.83 TNKS (0.44) PARP14TNKSTNKS2CDC7PIM1
SCHEMBL1298735 0.80 PARP1 (0.49) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL30496105 0.80 PARP1 (0.54) TNKSTNKS2CDC7PIM1CSNK2B
SCHEMBL7713954 0.80 PARP1 (0.54) TNKSTNKS2CDC7PIM1CSNK2B
Hydrochloric Acid SCHEMBL1299402 0.79 PARP1 (0.48) MAPK13RAF1MAPK9MAPK12MAPK11
Hydrochloric Acid SCHEMBL3717415 0.79 PARP1 (0.48) MAPK13RAF1MAPK9MAPK12MAPK11
Hydrochloric Acid SCHEMBL30456217 0.79 PARP1 (0.48) MAPK13RAF1MAPK9MAPK12MAPK11

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-6376500-B2 1-(INDOL-3-YLALKYL)ALKYLPIPERIDIN-4 -YL)-3H-QUINOLIN-4-ONE, FOR EXAMPLE; ALPHA1A/ B-RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; UROGENITAL DISORDERS; BENIGN PROSTATIC HYPERTROPHY; ANALGESICS FOR INFLAMMATORY, NEUROPATHY, CANCER, SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-20010051627-A1 Substituted 2-(4-piperidyl)-4(3H)-quinazolinones and 2-(4-piperidyl)- 4(3H)-azaquinazolinones CLARK ROBIN DOUGLAS (US) 2001-12-13 US disclosed
US-6258819-B1 BIOLOGICAL RECEPTORS, ANTIINFLAMMATORY AGENTS, BENIGN PROSTATE AND SIDE EFFECT REDUCTION SYNTEX (U.S.A.) LLC 2001-07-10 US disclosed
WO-2001010860-A2 QUINAZOLINONE AND AZAQUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-02-15 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 (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-20010051627-A1 Substituted 2-(4-piperidyl)-4(3H)-quinazolinones and 2-(4-piperidyl)- 4(3H)-azaquinazolinones ADRA2B, ADRA1D, ADRA1B PARP14 1975/4885TNKS 1559/4885TNKS2 2173/4885

“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.