SCHEMBL4221000

SCHEMBL4221000

O=C(N[C@@H]1CCNC1)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.56
GRM5 P41594 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.49
CDK2AP1 O14519 1/20 0.48
CHEK1 O14757 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
WNT1 P04628 1/20 0.47
DYRK1A Q13627 1/20 0.47
MMP2 P08253 2/20 0.47
ANPEP P15144 2/20 0.47
DGAT2 Q96PD7 2/20 0.47

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
SCHEMBL16731036 1.00 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTHTTGRM5
SCHEMBL4221004 1.00 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPTHTTGRM5
SCHEMBL8863954 0.92 ALDH1A1 (0.65) ALDH1A1L3MBTL1MAPTHTTGRM5
SCHEMBL1116630 0.84 ALDH1A1 (0.78) ALDH1A1L3MBTL1MAPTHTTGRM5
SCHEMBL241357 0.82 HDAC4 (0.53) ALDH1A1L3MBTL1GRM5CDK2AP1CHEK1
SCHEMBL241356 0.82 HDAC4 (0.53) ALDH1A1L3MBTL1GRM5CDK2AP1CHEK1
SCHEMBL1250846 0.82 MEN1 (0.54) GRM5SMN1; SMN2RAB9A
SCHEMBL5230051 0.82 MEN1 (0.54) GRM5SMN1; SMN2RAB9A
SCHEMBL8491815 0.82 MEN1 (0.54) GRM5SMN1; SMN2RAB9A
SCHEMBL10767187 0.81 HTT (0.64) ALDH1A1L3MBTL1MAPTHTTGRM5

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-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 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 (2 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 ALDH1A1 387/4885L3MBTL1 3197/4885MAPT 4355/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 ALDH1A1 301/4885L3MBTL1 2443/4885MAPT 1867/4885

“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.