SCHEMBL12374645

SCHEMBL12374645

CCOc1ccc(-c2nc(CC)c[nH]2)cc1OCC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
S1PR1 P21453 13/20 0.48
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
S1PR3 Q99500 6/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
MAOB P27338 2/20 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
SCHEMBL12359395 0.88 OXTR (0.41) MAPTS1PR1HSD17B10KDM4ES1PR3
SCHEMBL26070627 0.74 MAPT (0.42) MAPTS1PR1HSD17B10KDM4ESMN1; SMN2
SCHEMBL1778039 0.74 HSD17B10 (0.65) MAPTS1PR1HSD17B10KDM4ESMN1; SMN2
SCHEMBL29008478 0.74 KDM4E (0.48) MAPTHSD17B10KDM4EALDH1A1HPGD
SCHEMBL18015164 0.72 MAPT (0.42) MAPTS1PR1HSD17B10KDM4ESMN1; SMN2
SCHEMBL13115359 0.71 NPC1 (0.46) NPC1RAB9AMAPK1
SCHEMBL7486822 0.70 ALDH1A1 (0.39) MAPTHSD17B10KDM4ESMN1; SMN2NPC1
SCHEMBL2821562 0.70 KDM4E (0.39) HSD17B10KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL29008462 0.70 ALDH1A1 (0.50) MAPTHSD17B10KDM4ESMN1; SMN2NPC1
SCHEMBL2780530 0.70 POLB (0.41) MAPTKDM4ESMN1; SMN2NPC1RAB9A

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-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP 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-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 MAPT 3471/4885S1PR1 1041/4885HSD17B10 3973/4885

“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.