SCHEMBL22283252

SCHEMBL22283252

O=c1ccc2c(=O)nc[nH]c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.46
PDE3A Q14432 14/20 0.46
ADORA1 P30542 1/20 0.39
CHEK1 O14757 2/20 0.33
PIM1 P11309 2/20 0.33
PARP1 P09874 2/20 0.33
ALDH1A1 P00352 1/20 0.33
AKT1 P31749 1/20 0.33
FLT3 P36888 1/20 0.33
PIM3 Q86V86 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PDPK1 O15530 1/20 0.33
CA12 O43570 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA9 Q16790 1/20 0.33
TNKS2 Q9H2K2 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
SCHEMBL15707647 0.75 GSK3B (0.41) CHEK1PIM1PARP1ALDH1A1AKT1
SCHEMBL2272870 0.75 PARP1 (0.39) PDE3BPDE3ACHEK1PIM1PARP1
SCHEMBL12410480 0.71 ADORA1 (0.38) ADORA1CHEK1PIM1PARP1ALDH1A1
SCHEMBL13627444 0.71 PARP1 (0.36) CHEK1PIM1PARP1AKT1FLT3
SCHEMBL25194691 0.68 SMN1; SMN2 (0.48) CHEK1PIM1PARP1ALDH1A1AKT1
SCHEMBL5765110 0.67 PARP1 (0.37) ADORA1CHEK1PIM1PARP1AKT1
Allopurinol SCHEMBL6034419 0.65 XDH (0.50) CHEK1PIM1ALDH1A1AKT1FLT3
SCHEMBL12410487 0.65 LMNA (0.50) CHEK1ALDH1A1ALOX15SMN1; SMN2
Hypoxanthine SCHEMBL17276814 0.64 ALDH1A1 (0.37) PIM1PARP1ALDH1A1PIM3RPS6KA3
SCHEMBL12489082 0.63 PIM1 (0.51) CHEK1PIM1ALDH1A1AKT1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689870-B1 ANALGESIC DRUG USING PAC1 RECEPTOR ANTAGONISTIC DRUG UNIV KAGOSHIMA (JP) 2022-07-13 EP disclosed
US-11365194-B2 Analgesic drug using PAC1 receptor antagonistic drug KAGOSHIMA UNIVERSITY (JP) 2022-06-21 US disclosed
US-20220184081-A1 ANTIPRURITIC AGENT USING PAC1 RECEPTOR ANTAGONIST KAGOSHIMA UNIVERSITY (JP) 2022-06-16 US disclosed
EP-3932490-A1 ANTIPRURITIC AGENT USING PAC1 RECEPTOR ANTAGONIST Kagoshima University (JP) 2022-01-05 EP disclosed
US-20210188841-A1 ANALGESIC DRUG USING PAC1 RECEPTOR ANTAGONISTIC DRUG KAGOSHIMA UNIVERSITY (JP) 2021-06-24 US disclosed
EP-3689870-A1 ANALGESIC DRUG USING PAC1 RECEPTOR ANTAGONISTIC DRUG Kagoshima University (JP) 2020-08-05 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 (3 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-20210188841-A1 ANALGESIC DRUG USING PAC1 RECEPTOR ANTAGONISTIC DRUG OPRL1, OPRK1, OPRM1 PDE3B 2600/4885PDE3A 2204/4885ADORA1 47/4885
US-20220184081-A1 ANTIPRURITIC AGENT USING PAC1 RECEPTOR ANTAGONIST OPRL1, OPRK1, VIPR1 PDE3B 1617/4885PDE3A 1196/4885ADORA1 78/4885
US-11365194-B2 Analgesic drug using PAC1 receptor antagonistic drug OPRL1, OPRK1, OPRM1 PDE3B 2600/4885PDE3A 2204/4885ADORA1 47/4885

“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.