SCHEMBL1948810

SCHEMBL1948810

CC1(C)COc2ccccc2C(c2cnc3ccccc3c2)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.41
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
CYP2A6 P11509 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
TDP2 O95551 1/20 0.37
BIRC5 O15392 1/20 0.37
CYP1A2 P05177 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
BACE1 P56817 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSNK1G2 P78368 1/20 0.36

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
SCHEMBL1666802 0.89 AKR1C3 (0.42) NR2F2BRD4CREBBPPDGFRBPDGFRA
SCHEMBL2202393 0.79 KDM4E (0.49) NR2F2PDGFRBPDGFRACYP2A6NISCH
SCHEMBL2872223 0.79 PDGFRB (0.40) NR2F2BRD4CREBBPPDGFRBPDGFRA
SCHEMBL4522982 0.79 LMNA (0.50) NR2F2BRD4CREBBPPDGFRBPDGFRA
SCHEMBL1948019 0.76 NISCH (0.46) BRD4CREBBPPDGFRBPDGFRACYP2A6
SCHEMBL30084730 0.76 NISCH (0.46) BRD4CREBBPPDGFRBPDGFRACYP2A6
SCHEMBL4532927 0.76 NR2F2 (0.38) NR2F2BRD4CREBBPPDGFRBPDGFRA
SCHEMBL1950449 0.76 NISCH (0.40) NR2F2BRD4CREBBPPDGFRBPDGFRA
SCHEMBL4300871 0.76 BACE1 (0.41) NR2F2BRD4CREBBPPDGFRBPDGFRA
SCHEMBL4529985 0.75 BIRC5 (0.42) NR2F2BRD4CREBBPPDGFRBPDGFRA

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 3 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

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 NR2F2 2238/4885BRD4 378/4885CREBBP 4691/4885

“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.