SCHEMBL1935804

SCHEMBL1935804

CN1CCC(Oc2ccncc2)C1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
PDE10A Q9Y233 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
CYP11B2 P19099 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACACB O00763 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CHEK2 O96017 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 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
SCHEMBL18502888 1.00 PDE3B (0.50) PDE3BPDE3APDE10AHRH3CYP11B2
SCHEMBL4319275 0.92 CHRM2 (0.50) PDE3BPDE3APDE10AHRH3CHRM2
SCHEMBL1935925 0.91 HRH3 (0.58) PDE3BPDE3APDE10AHRH3CYP11B2
SCHEMBL10261345 0.81 SMN1; SMN2 (0.59) HRH3SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL10262302 0.81 SMN1; SMN2 (0.59) HRH3SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL14578240 0.81 HRH3 (0.56) HRH3SMN1; SMN2ACACBCHRM4CHRM5
SCHEMBL714763 0.81 SMN1; SMN2 (0.59) HRH3SMN1; SMN2CHRM2CHRM4CHRM5
SCHEMBL24521960 0.80 CHRNB2 (0.54) PDE3BPDE3APDE10ACHRM2CHRM1
SCHEMBL6311327 0.80 CHRNB2 (0.54) PDE3BPDE3APDE10ACHRM2CHRM1
SCHEMBL6306245 0.80 CHRNB2 (0.54) PDE3BPDE3APDE10ACHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452465-B1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2020-11-04 EP disclosed
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases GENOSCIENCE PHARMA (FR) 2020-03-03 US disclosed
US-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES GENOSCIENCE PHARMA (FR) 2019-05-16 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 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 (4 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-20190144437-A1 SUBSTITUTED 2, 4-DIAMINO-QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES NQO2, RECQL, CCNO PDE3B 1206/4885PDE3A 1368/4885PDE10A 2401/4885
US-10577362-B2 Substituted 2, 4-diamino-quinoline derivatives for use in the treatment of proliferative diseases NQO2, RECQL, CCNO PDE3B 1206/4885PDE3A 1368/4885PDE10A 2401/4885
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 PDE3B 502/4885PDE3A 734/4885PDE10A 1521/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 PDE3B 519/4885PDE3A 724/4885PDE10A 1430/4885

“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.