SCHEMBL4476356

SCHEMBL4476356

c1ccc(NNCc2ncccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KCNH3 Q9ULD8 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CTSD P07339 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPK1 P28482 1/20 0.38
FABP1 P07148 1/20 0.37
FABP6 P51161 1/20 0.37
ALOX15 P16050 1/20 0.36
CCR6 P51684 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL11281985 0.78 MAOA (0.64) MAOAMAOBKCNH3ALDH1A1TDP1
SCHEMBL2425837 0.73 TDP1 (0.52) MAOAMAOBKCNH3ALDH1A1TDP1
SCHEMBL1923771 0.69 KCNH3 (0.82) KCNH3GAAMAPTMAPK1KMT2A
SCHEMBL9717160 0.69 ALDH1A1 (0.61) ALDH1A1TDP1CTSDSMN1; SMN2GAA
SCHEMBL4155176 0.69 ALDH1A1 (0.60) MAOAMAOBALDH1A1TDP1CTSD
SCHEMBL25376106 0.68 MEN1 (0.54) MAOATDP1GAAMAPTMAPK1
SCHEMBL1246556 0.67 L3MBTL1 (0.55) MAOAMAOBKCNH3ALDH1A1TDP1
SCHEMBL16606307 0.66 ALDH1A1 (0.39) MAOAMAOBKCNH3ALDH1A1NPC1
SCHEMBL17087862 0.66 LTA4H (0.59) NPC1RAB9ASMN1; SMN2ALOX15
SCHEMBL16763415 0.66 ALDH1A1 (0.55) ALDH1A1TDP1CTSDSMN1; SMN2GAA

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-7579344-B2 Pyrimidine derivatives possessing cell-cycle inhibitors activity ASTRAZENECA AB (SE) 2009-08-25 US disclosed
US-20060229329-A1 Pyrimidine derivatives possessing cell-cycle inhibitors activity ASTRAZENECA AB (SE) 2006-10-12 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-20060229329-A1 Pyrimidine derivatives possessing cell-cycle inhibitors activity TYMP, CCNI, MKI67 MAOA 1561/4885MAOB 1108/4885KCNH3 4612/4885

“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.