SCHEMBL4967279

SCHEMBL4967279

NC(=O)c1nc(Nc2ccccc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
MAPT P10636 5/20 0.60
GAA P10253 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
NPY1R P25929 1/20 0.60
NPY2R P49146 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GPR55 Q9Y2T6 1/20 0.60
NPY5R Q15761 1/20 0.57
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
POLB P06746 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL5135715 0.85 MAPT (0.61) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3265691 0.83 MAPT (0.44) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL3584760 0.79 ROCK2 (0.60) TGFBR1CLK4
SCHEMBL8890470 0.79 NPY5R (0.70) MEN1KMT2ANPY5RABCG2ABCC1
SCHEMBL9938046 0.76 ABCG2 (0.80) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL28096475 0.76 ACP1 (0.59) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL16700735 0.75 ABCG2 (0.52) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4969317 0.75 NPY5R (0.66) MEN1KMT2ASMN1; SMN2NPY5RALDH1A1
SCHEMBL28483564 0.75 NPY5R (0.66) MEN1KMT2AMAPTGAASMN1; SMN2
SCHEMBL28213378 0.75 NPY5R (0.66) MEN1KMT2ASMN1; SMN2NPY5RALDH1A1

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 4 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
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 MEN1 4250/4885KMT2A 2730/4885MAPT 2460/4885

“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.