SCHEMBL742068

SCHEMBL742068

Cc1cccc2[nH]c(C3CCCNC3)nc12

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.65
PARP2 Q9UGN5 2/20 0.46
PDE10A Q9Y233 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
PARP14 Q460N5 1/20 0.42
CDC7 O00311 1/20 0.42
PIM1 P11309 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 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
SCHEMBL742067 1.00 PARP1 (0.65) PARP1PARP2PDE10APTGS1PTGS2
SCHEMBL14587803 0.84 PARP1 (0.65) PARP1PARP2CDC7PIM1CSNK2B
SCHEMBL741372 0.83 PARP1 (0.61) PARP1PARP2
SCHEMBL741373 0.83 PARP1 (0.61) PARP1PARP2
SCHEMBL7215446 0.83 PARP1 (0.61) PARP1PARP2PDE10A
Hydrochloric Acid SCHEMBL4716384 0.83 PARP1 (0.63) PARP1PARP2CDC7PIM1CSNK2B
SCHEMBL4374769 0.82 ALDH1A1 (0.53) PARP1PARP2PDE10A
SCHEMBL5621627 0.79 PARP1 (1.00) PARP1PARP2PIM1
Hydrochloric Acid SCHEMBL18614365 0.78 PARP1 (0.98) PARP1PARP2PIM1
SCHEMBL740103 0.77 PARP1 (0.56) PARP1

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
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
EP-2516425-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed
US-20140080799-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2014-03-20 US disclosed
US-8563539-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2013-10-22 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2011-06-23 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 (2 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-20140080799-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 PARP1 890/4885PARP2 943/4885PDE10A 3609/4885
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 PARP1 883/4885PARP2 948/4885PDE10A 3567/4885

“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.