SCHEMBL4757235

SCHEMBL4757235

[c]1nc(Nc2ccccc2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.56
NPY5R Q15761 4/20 0.56
CLK4 Q9HAZ1 3/20 0.56
DAPK3 O43293 1/20 0.56
MAP4K4 O95819 1/20 0.56
ABL1 P00519 1/20 0.56
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
PIM1 P11309 1/20 0.56
PRKACA P17612 1/20 0.56
LTK P29376 1/20 0.56
MAPK8 P45983 1/20 0.56
CSNK1A1 P48729 1/20 0.56
RPS6KA3 P51812 1/20 0.56
LIMK1 P53667 1/20 0.56
MAP2K1 Q02750 1/20 0.56
ACVR1 Q04771 1/20 0.56
TYRO3 Q06418 1/20 0.56
MAP4K2 Q12851 1/20 0.56
ROCK1 Q13464 1/20 0.56

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
SCHEMBL2257238 0.74 NPY5R (0.66) ABCG2NPY5RCLK4DAPK3MAP4K4
SCHEMBL30960995 0.74 NPY5R (0.66) ABCG2NPY5RCLK4DAPK3MAP4K4
SCHEMBL4754065 0.74 APP (0.62) EGFRMEN1KMT2APDE5AALDH1A1
SCHEMBL27863154 0.74 AURKA (0.34) ABCG2NPY5RCLK4DAPK3MAP4K4
SCHEMBL8920 0.72 EGFR (1.00) ABCG2CLK4DAPK3MAP4K4ABL1
SCHEMBL3757318 0.72 MEN1 (0.69) ABCG2NPY5RCLK4DAPK3MAP4K4
SCHEMBL2591063 0.72 NPY5R (1.00) ABCG2NPY5RMEN1KMT2APDE5A
SCHEMBL29941271 0.72 EGFR (1.00) ABCG2CLK4DAPK3MAP4K4ABL1
SCHEMBL28066429 0.72 NPC1 (0.32) ABCG2NPY5REGFRKDM4EPOLB
SCHEMBL10135256 0.71 NPY5R (0.67) ABCG2NPY5RCLK4DAPK3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461166-B2 Anilinoquinazolinyl amide derivatives; radiolabels as bioprobes for Positron Emission Tomography and Single Photon Emission Computed Tomography, and as radiopharmaceuticals for radiotherapy; improved solubility, bioavailability, biostability HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2013-06-11 US disclosed
WO-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 WO disclosed
EP-1957468-A2 POLYALKYLENE GLYCOL DERIVATIVES OF 4 - (PHENYLAMINO)QUINAZOLINES USEFUL AS IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE T.K. Signal Ltd. (IL) 2008-08-20 EP disclosed
US-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase T.K. SIGNAL LTD. (IL) 2008-03-06 US disclosed
WO-2007029251-A2 POLYALKYLENE GLYCOL DERIVATIVES OF 4- (PHENYLAMINO)QUINAZOLINES USEFUL AS IRREVERSIBLE INHIBITORS OF EPIDERMAL GR0WTH FACT0R RECEPTOR TYROSINE KINASE T.K. SIGNAL LTD. (IL) 2007-03-15 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-20080056990-A1 Polyalkylene glycol derivatives of inhibitors of epidermal growth factor receptor tyrosine kinase EGFR, TK1, ERBB2 ABCG2 262/4885NPY5R 2554/4885CLK4 1573/4885

“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.