SCHEMBL16268461

SCHEMBL16268461

Cc1cc(N)nc2c1nnn2C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.39
BRD4 O60885 10/20 0.37
BRD3 Q15059 10/20 0.37
BRD2 P25440 9/20 0.37
NOS3 P29474 3/20 0.34
NOS1 P29475 3/20 0.34
NOS2 P35228 3/20 0.34
BACE1 P56817 1/20 0.34
CREBBP Q92793 1/20 0.32
CDK9 P50750 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL16259901 0.81 ALDH1A1 (0.41) BRD4BRD3BRD2CREBBPMAPT
SCHEMBL16244304 0.78 BRD4 (0.42) BRD4BRD3BRD2CREBBPMAPT
SCHEMBL16740552 0.71 BRD4 (0.34) BRD4BRD3BRD2CREBBP
SCHEMBL19917016 0.69 ADORA1 (0.44)
SCHEMBL17686232 0.68 BRD2 (0.37) BRD4BRD3BRD2CREBBPTP53
SCHEMBL23459660 0.68 PRMT5 (0.40) PRMT5NOS3NOS1NOS2BACE1
SCHEMBL13347013 0.67 CDK1 (0.41)
SCHEMBL23608868 0.67 PI4KA (0.44) NOS3NOS1NOS2BACE1TP53
SCHEMBL29882352 0.67 PI4KA (0.44) NOS3NOS1NOS2BACE1TP53
SCHEMBL31210486 0.63 PRMT5 (0.46) PRMT5NOS3NOS1NOS2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3412675-A1 IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2018-12-12 EP disclosed
US-9890166-B2 Imidazopyrrolidine derivatives and their use in the treatment of disease NOVARTIS AG (CH) 2018-02-13 US disclosed
US-9550796-B2 Pyrrolopyrrolone derivatives and their use as BET inhibitors NOVARTIS AG (CH) 2017-01-24 US disclosed
US-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2016-09-29 US disclosed
EP-3071571-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS Novartis AG (CH) 2016-09-28 EP disclosed
US-20160108047-A1 IMIDAZOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2016-04-21 US disclosed
EP-3004109-A1 IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2016-04-13 EP disclosed
WO-2015075665-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2015-05-28 WO disclosed
WO-2014191894-A1 IMIDAZOPYRROLIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2014-12-04 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 (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-20160108047-A1 IMIDAZOPYRROLIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE TPMT, REN, IL5 PRMT5 433/4885BRD4 176/4885BRD3 492/4885
US-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, PHKB, TMPO PRMT5 1524/4885BRD4 5/4885BRD3 12/4885

“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.