SCHEMBL18088239

SCHEMBL18088239

Cc1ccncc1N1CN(c2ccccc2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.48
CYP1A2 P05177 5/20 0.48
GRM4 Q14833 1/20 0.38
FLT3 P36888 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 2/20 0.35
TRPA1 O75762 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 2/20 0.33
FGFR1 P11362 1/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 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
SCHEMBL17173402 0.83 CYP17A1 (0.39) CYP17A1CYP1A2FLT3GSK3BMAPT
SCHEMBL17173554 0.83 CYP17A1 (0.38) CYP17A1CYP1A2FLT3GSK3BMAPT
SCHEMBL12514329 0.81 ALDH1A1 (0.42) MAPTALDH1A1HTTLMNAMAPK1
SCHEMBL3791621 0.79 MEN1 (0.56) CYP17A1CYP1A2
SCHEMBL26350115 0.78 CYP17A1 (0.39) CYP17A1CYP1A2GRM4MAPTCA12
SCHEMBL12153468 0.75 SIGMAR1 (0.48) MAPTBRD4BRD2BRD3TDP1
SCHEMBL30261935 0.75 SIGMAR1 (0.48) MAPTBRD4BRD2BRD3TDP1
SCHEMBL26103577 0.75 SMN1; SMN2 (0.48) CYP17A1CYP1A2MAPTALDH1A1LMNA
SCHEMBL17754707 0.75 FLT3 (0.39) CYP17A1CYP1A2FLT3GSK3BMAPT
SCHEMBL26350148 0.74 CYP17A1 (0.39) CYP17A1CYP1A2GRM4MAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160276603-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-22 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-20160276603-A1 Organic Electroluminescent Materials and Devices EML4, BICRA, TBCB CYP17A1 4698/4885CYP1A2 1813/4885GRM4 1585/4885

“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.