SCHEMBL1285362

SCHEMBL1285362

O=C(O)N(c1c[c]ccc1)N1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL8544469 0.81 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2KDM4ETDP1
SCHEMBL4142245 0.80 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2KDM4ETDP1
SCHEMBL12473807 0.72 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2KDM4ETDP1
SCHEMBL16470484 0.72 KMT2A (0.41) ALDH1A1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL4537418 0.71 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2KDM4ETDP1
SCHEMBL4292571 0.70 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2HPGDKMT2A
SCHEMBL27710866 0.69 KMT2A (0.36) ALDH1A1POLBSMN1; SMN2KDM4ELMNA
SCHEMBL28026626 0.68 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2KDM4ETDP1
SCHEMBL18428973 0.67 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2TDP1LMNA
SCHEMBL8779695 0.67 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP claimed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US claimed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP claimed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 WO claimed
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP disclosed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 ALDH1A1 4193/4885POLB 1441/4885SMN1; SMN2 3154/4885

“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.