SCHEMBL2918904

SCHEMBL2918904

CN(C)CCNC(=O)c1n[nH]c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 3/20 0.52
DYRK1A Q13627 3/20 0.52
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 1/20 0.47
CSNK2A1 P68400 1/20 0.43
GSK3B P49841 1/20 0.43
MAPK8 P45983 2/20 0.42
MAPK10 P53779 2/20 0.42
MAPK14 Q16539 2/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL2919149 0.81 WNT1 (0.58) WNT1DYRK1APOLBSMN1; SMN2KDM4E
SCHEMBL14574206 0.79 HTT (0.49) POLBHTTSMN1; SMN2KDM4EMAPT
SCHEMBL8597936 0.76 MAP2K7 (0.48) POLBCSNK2A1ALDH1A1LMNAMAPT
SCHEMBL1176227 0.75 MAPT (0.50) POLBSMN1; SMN2CSNK2A1ALDH1A1LMNA
SCHEMBL14574208 0.74 NQO2 (0.55)
SCHEMBL26757977 0.73 HTT (0.56) POLBHTTSMN1; SMN2KDM4ERAB9A
SCHEMBL3748945 0.73 HTT (0.50) POLBHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL31237300 0.73 HTT (0.50) POLBHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL2717007 0.73 TMEM97 (0.68) POLBHTTSMN1; SMN2KDM4ERAB9A
SCHEMBL31203036 0.72 HTT (0.67) POLBHTTSMN1; SMN2KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
US-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 EP disclosed
WO-2009084695-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2009-07-09 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-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K WNT1 4594/4885DYRK1A 523/4885POLB 4054/4885

“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.