SCHEMBL3046537

SCHEMBL3046537

Cc1cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1-c1ccc(C=O)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
BRD4 O60885 1/20 0.33
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 3/20 0.31
NPSR1 Q6W5P4 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL3044292 0.90 FGFR1 (0.36) FGFR1ALDH1A1BRD4MAPTKDM4E
SCHEMBL3050515 0.86 FGFR1 (0.36) FGFR1ALDH1A1BRD4MAPTKDM4E
SCHEMBL3047005 0.86 ALDH1A1 (0.35) FGFR1ALDH1A1BRD4MAPTKDM4E
SCHEMBL3044843 0.82 EIF4E (0.31) TDP1
SCHEMBL3044301 0.82 ALDH1A1 (0.34) FGFR1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3034828 0.80 GFER (0.32) FGFR1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL13137245 0.80 DYRK1A (0.39) ALDH1A1BRD4MAPTSMN1; SMN2TDP1
SCHEMBL3048638 0.79 BRD4 (0.43) FGFR1ALDH1A1KMT2AMEN1BRD4
SCHEMBL3050306 0.78 BRD4 (0.38) FGFR1ALDH1A1KMT2AMEN1BRD4
SCHEMBL3050411 0.77 FGFR1 (0.33) FGFR1MAPTTP53THRB

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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 FGFR1 2658/4885ALDH1A1 3109/4885KMT2A 3326/4885

“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.