SCHEMBL3044076

SCHEMBL3044076

O=Cc1ccc(-c2ccc3c(c2)ncn3C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.40
NPC1 O15118 2/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
FGFR1 P11362 3/20 0.36
IP6K1 Q92551 1/20 0.36
KIF11 P52732 1/20 0.35
ALDH1A1 P00352 2/20 0.33
CYP2A6 P11509 1/20 0.33
F10 P00742 1/20 0.33
DRD1 P21728 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
NR1I2 O75469 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
SCHEMBL3050820 0.91 FGFR1 (0.42) KDRNPC1HPGDRAB9AFGFR1
SCHEMBL6489898 0.91 FGFR1 (0.42) NPC1HPGDRAB9AFGFR1ALDH1A1
SCHEMBL3038570 0.90 FGFR1 (0.39) KDRNPC1FGFR1IP6K1KIF11
SCHEMBL3050306 0.85 BRD4 (0.38) KDRNPC1HPGDRAB9AFGFR1
SCHEMBL3038354 0.85 FGFR1 (0.36) KDRNPC1HPGDRAB9AFGFR1
SCHEMBL6489900 0.82 FGFR1 (0.45) NPC1FGFR1IP6K1ALDH1A1CYP2A6
SCHEMBL3047005 0.82 ALDH1A1 (0.35) NPC1HPGDRAB9AFGFR1ALDH1A1
SCHEMBL3046969 0.82 DRD1 (0.35) FGFR1IP6K1KIF11DRD1
SCHEMBL3044219 0.82 DRD1 (0.35) FGFR1IP6K1KIF11DRD1
SCHEMBL3050411 0.82 FGFR1 (0.33) FGFR1IP6K1DRD1

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 3 patents. 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
EP-2049481-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008021851-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO 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 KDR 1791/4885NPC1 2935/4885HPGD 1627/4885

“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.