SCHEMBL1104762

SCHEMBL1104762

c1cnc2c(c1)nc1n2CCS1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.48
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL11676399 0.90 ALDH1A1 (0.55) TGFBR1ALDH1A1MAPTLMNATDP1
Hydrochloric Acid SCHEMBL11673926 0.89 ALDH1A1 (0.54) TGFBR1ALDH1A1MAPTLMNATDP1
SCHEMBL839648 0.74 ALDH1A1 (0.55) TGFBR1ALDH1A1MAPTLMNATDP1
Hydrochloric Acid SCHEMBL11675140 0.73 ALDH1A1 (0.62) ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL11675656 0.72 ALDH1A1 (0.54) TGFBR1ALDH1A1MAPTLMNATDP1
SCHEMBL7691317 0.71 HTR3E (0.43) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL1104773 0.70 ALDH1A1 (0.39) TGFBR1ALDH1A1TDP1KDM4EALOX15
SCHEMBL12349572 0.69 ALDH1A1 (0.83) ALDH1A1MAPTLMNATDP1KDM4E
SCHEMBL1104755 0.68 KDM4E (0.51) TGFBR1ALDH1A1TDP1KDM4EHPGD
SCHEMBL1104756 0.68 ALDH1A1 (0.54) TGFBR1ALDH1A1KDM4EHPGDHSD17B10

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-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 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 (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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 TGFBR1 4816/4885ALDH1A1 1200/4885MAPT 3450/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 TGFBR1 4816/4885ALDH1A1 1200/4885MAPT 3450/4885

“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.