SCHEMBL3044563

SCHEMBL3044563

Cc1cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1-c1ccc(C=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.35
FGFR1 P11362 2/20 0.33
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.31
ALDH1A3 P47895 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGER4 P35408 1/20 0.31

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
SCHEMBL3047005 0.86 ALDH1A1 (0.35) FGFR1ALDH1A1SMN1; SMN2
SCHEMBL3046969 0.84 DRD1 (0.35) EGFRFGFR1
SCHEMBL3034828 0.82 GFER (0.32) FGFR1GFERKMT2AALDH1A1SMN1; SMN2
SCHEMBL3044219 0.81 DRD1 (0.35) EGFRFGFR1
SCHEMBL13137119 0.80 HDAC1 (0.38) FGFR1GFERKMT2AALDH1A1ALDH1A3
SCHEMBL6489900 0.78 FGFR1 (0.45) FGFR1KMT2AALDH1A1
SCHEMBL6489898 0.78 FGFR1 (0.42) FGFR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3044292 0.78 FGFR1 (0.36) FGFR1ALDH1A1SMN1; SMN2
SCHEMBL3044301 0.76 ALDH1A1 (0.34) FGFR1GFERKMT2AALDH1A1SMN1; SMN2
SCHEMBL3054809 0.76 KDM4E (0.36) KMT2AALDH1A1SMN1; SMN2

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 EGFR 1277/4885FGFR1 2658/4885GFER 2817/4885

“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.