SCHEMBL3038570

SCHEMBL3038570

O=Cc1ccc(-c2ccc3ncn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.39
IP6K1 Q92551 2/20 0.39
BRD4 O60885 1/20 0.36
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
ATM Q13315 3/20 0.33
CYP2A6 P11509 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
DYRK1A Q13627 1/20 0.33
DRD1 P21728 1/20 0.33
GRK2 P25098 1/20 0.32

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
SCHEMBL3039306 0.91 FGFR1 (0.45) FGFR1IP6K1BRD4ALDH1A1KDM4E
SCHEMBL6489900 0.91 FGFR1 (0.45) FGFR1IP6K1ALDH1A1KDM4EMEN1
SCHEMBL3044076 0.90 KDR (0.40) FGFR1IP6K1KIF11ALDH1A1KDM4E
SCHEMBL3048869 0.86 BRD4 (0.34) FGFR1BRD4KIF11POLBATM
SCHEMBL3048638 0.86 BRD4 (0.43) FGFR1BRD4ALDH1A1KDM4EMEN1
SCHEMBL3049023 0.83 ACVR1 (0.37) FGFR1BRD4ALDH1A1KDM4EMEN1
SCHEMBL6489898 0.82 FGFR1 (0.42) FGFR1ALDH1A1KDM4EMEN1NPC1
SCHEMBL3047005 0.82 ALDH1A1 (0.35) FGFR1BRD4ALDH1A1KDM4ENPC1
SCHEMBL3051824 0.82 FGFR1 (0.33) FGFR1BRD4POLB
SCHEMBL3044219 0.82 DRD1 (0.35) FGFR1IP6K1KIF11DRD1GRK2

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 2658/4885IP6K1 1533/4885BRD4 1419/4885

“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.