SCHEMBL15418019

SCHEMBL15418019

C(=NC1CC1)c1c[nH]c2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
CDC7 O00311 2/20 0.47
AXL P30530 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
HASPIN Q8TF76 3/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
CHEK1 O14757 2/20 0.42
LRRK2 Q5S007 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MET P08581 1/20 0.39
OPRL1 P41146 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
RET P07949 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL12523941 1.00 KMT2A (0.56) KMT2ACDC7AXLGPR84HASPIN
SCHEMBL3563747 0.78 KMT2A (0.63) KMT2ACDC7AXLGPR84HASPIN
SCHEMBL3563749 0.78 KMT2A (0.63) KMT2ACDC7AXLGPR84HASPIN
SCHEMBL29768778 0.73 KMT2A (1.00) KMT2ACDC7AXLGPR84HASPIN
SCHEMBL1772824 0.73 KMT2A (0.69) KMT2ACDC7AXLGPR84HASPIN
SCHEMBL17875019 0.73 KMT2A (0.69) KMT2ACDC7AXLGPR84HASPIN
SCHEMBL28322044 0.73 KMT2A (0.69) KMT2ACDC7AXLGPR84HASPIN
SCHEMBL29768777 0.73 KMT2A (1.00) KMT2ACDC7AXLGPR84HASPIN
SCHEMBL257134 0.73 KMT2A (1.00) KMT2ACDC7AXLGPR84HASPIN
SCHEMBL30165674 0.73 KMT2A (0.69) KMT2ACDC7AXLGPR84HASPIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-12-18 US disclosed
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
EP-2687518-B1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2017-11-01 EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 US disclosed
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 EP disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
EP-2687518-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 EP disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 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 (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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 KMT2A 721/4885CDC7 3658/4885AXL 1181/4885
US-10155731-B2 Nitrogen-containing saturated heterocyclic compound REN, AGTR1, AGTR2 KMT2A 721/4885CDC7 3658/4885AXL 1181/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE KMT2A 1998/4885CDC7 3435/4885AXL 1550/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 KMT2A 721/4885CDC7 3658/4885AXL 1181/4885

“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.