SCHEMBL1666845

SCHEMBL1666845

CC1(C2CC2)CN=C(c2cnc3ccccc3c2)c2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
CREBBP Q92793 2/20 0.39
NISCH Q9Y2I1 1/20 0.37
TDP2 O95551 1/20 0.36
NR2F2 P24468 1/20 0.36
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP11 Q9NR21 1/20 0.35
CYP2A6 P11509 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
BIRC5 O15392 1/20 0.34
CYP1A2 P05177 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL1950449 0.85 NISCH (0.40) BRD4CREBBPNISCHTDP2NR2F2
SCHEMBL1949218 0.82 NISCH (0.38) BRD4CREBBPNISCHTDP2NR2F2
SCHEMBL1949982 0.82 NISCH (0.40) BRD4CREBBPNISCHTDP2NR2F2
SCHEMBL1666331 0.81 AKR1C3 (0.38) BRD4CREBBPNISCHTDP2NR2F2
SCHEMBL1946900 0.81 NISCH (0.38) BRD4CREBBPNISCHTDP2NR2F2
SCHEMBL1666334 0.81 NISCH (0.40) BRD4CREBBPNISCHTDP2NR2F2
SCHEMBL1666857 0.80 BRD4 (0.37) BRD4CREBBPNISCHTDP2NR2F2
SCHEMBL29039044 0.77 NR2F2 (0.44) BRD4CREBBPNISCHTDP2NR2F2
SCHEMBL30414716 0.77 NR2F2 (0.44) BRD4CREBBPNISCHTDP2NR2F2
SCHEMBL1666328 0.76 CNR2 (0.38) BRD4CREBBPNISCHTDP2NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314583-B1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT NIPPON SODA CO (JP) 2015-02-25 EP disclosed
US-8557738-B2 Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use NIPPON SODA CO., LTD. (JP) 2013-10-15 US disclosed
US-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD (JP) 2011-06-09 US disclosed
EP-2314583-A1 NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT Nippon Soda Co., Ltd. (JP) 2011-04-27 EP 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-20110136782-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE CBR3, NOS1, CBR1 BRD4 378/4885CREBBP 4691/4885NISCH 170/4885

“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.