SCHEMBL16019753

SCHEMBL16019753

CCCSc1nc(C)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.47
HASPIN Q8TF76 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 3/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1254741 0.91 TLR7 (0.51) TLR7HASPINALDH1A1HPGDKDM4E
SCHEMBL14900238 0.89 HASPIN (0.43) TLR7HASPINALDH1A1HPGDKDM4E
SCHEMBL7564825 0.84 TLR7 (0.47) TLR7HASPINALDH1A1HPGDKDM4E
SCHEMBL1829942 0.81 HASPIN (0.44) TLR7HASPINALDH1A1HPGDKDM4E
SCHEMBL14889085 0.81 TLR7 (0.45) TLR7HASPINALDH1A1MAPK1MAPT
SCHEMBL22130771 0.81 TLR7 (0.45) TLR7HASPINMAPK1MAPTLMNA
SCHEMBL20997798 0.80 TLR7 (0.54) TLR7HASPINMAPTGAATDP1
SCHEMBL16142515 0.80 TLR7 (0.44) TLR7HASPINALDH1A1POLBMAPT
SCHEMBL7480837 0.80 TLR7 (0.43) TLR7HASPINALDH1A1HPGDMAPK1
SCHEMBL8079399 0.79 KMT2A (0.42) HASPINALDH1A1MAPK1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011605-B2 Process for the preparation of triazolo[4,5-D] pyrimidine cyclopentane compounds FLAMMA SPA (IT) 2018-07-03 US disclosed
US-9469614-B2 Synthesis of triazolopyrimidine compounds LEK PHARMACEUTICALS D.D. (SI) 2016-10-18 US disclosed
US-20140256747-A1 Synthesis of Triazolopyrimidine Compounds LEK PHARMACEUTICALS D.D. (SI) 2014-09-11 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-20140256747-A1 Synthesis of Triazolopyrimidine Compounds DPYD, TYMS, TYMP TLR7 4357/4885HASPIN 1887/4885ALDH1A1 1487/4885
US-10011605-B2 Process for the preparation of triazolo[4,5-D] pyrimidine cyclopentane compounds TBXA2R, THPO, P2RY4 TLR7 3243/4885HASPIN 2053/4885ALDH1A1 905/4885

“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.