SCHEMBL4569778

SCHEMBL4569778

O=C(Nc1ccccc1)Nc1cccc2c1CCN2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
LMNA P02545 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GAA P10253 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
EPHX1 P07099 1/20 0.49
TSHR P16473 1/20 0.49
EPHX2 P34913 1/20 0.49
CDK9 P50750 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
CXCR2 P25025 2/20 0.48
CXCR1 P25024 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL174936 0.88 MEN1 (0.51) MEN1KMT2AMAPTLMNANPC1
SCHEMBL174930 0.88 RAB9A (0.52) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL173846 0.85 STING1 (0.53) MEN1KMT2AMAPTLMNANPC1
SCHEMBL174986 0.85 KMT2A (0.52) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL175067 0.85 MAPT (0.52) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL174238 0.84 DDX3X (0.52) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL175199 0.84 HTT (0.51) MEN1KMT2AMAPTLMNANPC1
Hydrochloric Acid SCHEMBL174066 0.84 KMT2A (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL175262 0.84 SMN1; SMN2 (0.55) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL175419 0.84 MAPT (0.54) MEN1KMT2AMAPTRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648086-B2 5,6-bicyclic heteroaryl-containing urea compounds as kinase inhibitors ASCEPION PHARMACEUTICALS, INC. (CN) 2014-02-11 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 MEN1 1556/4885KMT2A 1244/4885MAPT 2492/4885

“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.