SCHEMBL1532935

SCHEMBL1532935

c1ccc2c(c1)NCCN=C2c1cnc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 3/20 0.63
PDGFRB P09619 3/20 0.46
PDGFRA P16234 3/20 0.46
CYP2A6 P11509 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
BRD4 O60885 2/20 0.42
CREBBP Q92793 2/20 0.42
CYP1A2 P05177 2/20 0.42
BIRC5 O15392 1/20 0.40
PIM1 P11309 2/20 0.39
CLK2 P49760 2/20 0.39
DYRK1A Q13627 2/20 0.39
PLK4 O00444 1/20 0.39
DAPK3 O43293 1/20 0.39
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
CHEK2 O96017 1/20 0.39
CDK1 P06493 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
SCHEMBL1532743 0.77 GABRA1 (0.63) NISCHBRD4CREBBPTDP2TOP2A
SCHEMBL23241865 0.77 NISCH (0.49) NISCHPDGFRBPDGFRACYP2A6PARP10
SCHEMBL1199345 0.77 NISCH (0.54) NISCHCYP1A2
SCHEMBL1948019 0.74 NISCH (0.46) NISCHPDGFRBPDGFRACYP2A6PARP10
SCHEMBL30084730 0.74 NISCH (0.46) NISCHPDGFRBPDGFRACYP2A6PARP10
SCHEMBL10323743 0.72 NISCH (0.44) NISCHPDGFRBPDGFRACYP2A6PARP10
SCHEMBL2851128 0.70 NISCH (0.56) NISCHCYP1A2KDM4E
SCHEMBL7011935 0.70 NISCH (0.83) NISCHPDGFRBPDGFRACYP2A6PARP10
SCHEMBL11037136 0.69 TAAR1 (0.46) NISCH
SCHEMBL10323744 0.69 NISCH (0.44) NISCHPDGFRBPDGFRACYP2A6PARP10

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
EP-2484672-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND HERBICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO (JP) 2015-07-15 EP disclosed
EP-2484672-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND HERBICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO (JP) 2015-07-15 EP disclosed
US-9062024-B2 Nitrogen-containing heterocyclic compound and salt thereof, and a fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
US-9062024-B2 Nitrogen-containing heterocyclic compound and salt thereof, and a fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2015-06-23 US disclosed
EP-2484672-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2012-08-08 EP disclosed
EP-2484672-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2012-08-08 EP disclosed
US-20120184732-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND A FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. 2012-07-19 US disclosed
US-20120184732-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND A FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. 2012-07-19 US disclosed
WO-2011037128-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE 日本曹達株式会社 (JP) 2011-03-31 WO disclosed
WO-2011037128-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE 日本曹達株式会社 (JP) 2011-03-31 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-20120184732-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND SALT THEREOF, AND A FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CYP51A1, NOS1, NPR1 NISCH 32/4885PDGFRB 4685/4885PDGFRA 4693/4885

“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.