SCHEMBL7679197

SCHEMBL7679197

CNC(=O)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
MAPT P10636 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 1/20 0.62
POLB P06746 2/20 0.61
KDM4E B2RXH2 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
USP30 Q70CQ3 1/20 0.57
STAT3 P40763 1/20 0.56
HPGDS O60760 1/20 0.56
KCNQ3 O43525 1/20 0.55
KCNQ2 O43526 1/20 0.55
HRH3 Q9Y5N1 1/20 0.52
PRMT5 O14744 2/20 0.52
HDAC10 Q969S8 1/20 0.52

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
SCHEMBL30175325 0.87 UBE2T (0.56) ALDH1A1POLBKDM4EHPGDALOX15
SCHEMBL2570318 0.86 ALDH1A1 (0.66) ALDH1A1MAPTCYP1A2CYP2C19POLB
SCHEMBL13360509 0.86 ALDH1A1 (0.66) ALDH1A1MAPTCYP1A2CYP2C19POLB
SCHEMBL4930304 0.86 ALDH1A1 (0.66) ALDH1A1MAPTCYP1A2CYP2C19POLB
SCHEMBL13101600 0.85 ALDH1A1 (0.61) ALDH1A1MAPTCYP1A2CYP2C19POLB
SCHEMBL12376678 0.85 ALDH1A1 (0.61) ALDH1A1MAPTCYP1A2CYP2C19POLB
SCHEMBL13116111 0.85 ALDH1A1 (0.61) ALDH1A1MAPTCYP1A2CYP2C19POLB
SCHEMBL905342 0.84 RAB9A (0.61) SMN1; SMN2HRH3HDAC10NPC1RAB9A
SCHEMBL31283651 0.84 ALDH1A1 (0.71) ALDH1A1MAPTCYP1A2CYP2C19POLB
SCHEMBL209882 0.84 ALDH1A1 (0.71) ALDH1A1MAPTCYP1A2CYP2C19POLB

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-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-6407111-B1 SUBSTANCE P OR NEUROKININ 1 ANTAGONISTS; ANTIINFLAMMATORY, ANTIDEPRESSANT, ANTIARTHRITIC, AND ANTIASTHMATIC AGENTS; PARKINSON*S DISEASE, INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM AND RHEUMATIC DISORDERS HOFFMANN-LA ROCHE INC. 2002-06-18 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 (3 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC ALDH1A1 1635/4885MAPT 4444/4885CYP1A2 1021/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK ALDH1A1 1744/4885MAPT 329/4885CYP1A2 711/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 ALDH1A1 1526/4885MAPT 883/4885CYP1A2 161/4885

“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.