SCHEMBL5488228

SCHEMBL5488228

Cc1nc(N2CCCC2)c2ccc(OCc3ccccc3C#N)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
NPY5R Q15761 2/20 0.46
ALOX15 P16050 5/20 0.42
CASP1 P29466 5/20 0.42
CASP7 P55210 5/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RUNX1 Q01196 1/20 0.42
CBFB Q13951 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL5037487 0.84 NCF1 (0.50) MAOBKDM4EALDH1A1HPGDMAPT
SCHEMBL5036278 0.83 NCF1 (0.52) MAOBMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5040498 0.82 NCF1 (0.51) MAOBMEN1KMT2AKDM4EALDH1A1
SCHEMBL5491074 0.82 MEN1 (0.57) MEN1KMT2ANPY5RTP53ENPP1
SCHEMBL5486974 0.82 MAOB (0.47) MAOBMEN1KMT2AKDM4ENPY5R
SCHEMBL5485312 0.81 MEN1 (0.46) MEN1KMT2ANPY5RMAPK1L3MBTL1
SCHEMBL5490756 0.81 MEN1 (0.46) MEN1KMT2AKDM4EALDH1A1NPY5R
SCHEMBL5484958 0.80 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1NPY5R
Hydrochloric Acid SCHEMBL5489384 0.76 ENPP1 (0.53) MAOBMEN1KMT2ANPY5RMAPK1
SCHEMBL5494681 0.76 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 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 (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-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 MAOB 910/4885MEN1 1326/4885KMT2A 1664/4885

“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.