SCHEMBL13729062

SCHEMBL13729062

S=c1[nH]nc(-c2ccncc2)n1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.75
ALDH1A1 P00352 11/20 0.72
HPGD P15428 4/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
KDM4E B2RXH2 6/20 0.72
MAPK10 P53779 2/20 0.70
MAPK8 P45983 1/20 0.70
MAPK9 P45984 1/20 0.70
PPARG P37231 1/20 0.68
NCOA2 Q15596 1/20 0.68
NCOA1 Q15788 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
GFER P55789 1/20 0.65
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
LMNA P02545 1/20 0.62
ATM Q13315 1/20 0.62

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
SCHEMBL7072642 0.90 ALDH1A1 (0.81) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL15452371 0.84 TDP1 (0.76) TDP1ALDH1A1HPGDKDM4EMAPK10
SCHEMBL15452785 0.83 ALDH1A1 (0.74) TDP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL5429664 0.83 ALDH1A1 (0.75) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL8978517 0.83 ALDH1A1 (0.75) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL8978542 0.82 ALDH1A1 (0.69) TDP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL28538869 0.82 HPGD (0.77) TDP1ALDH1A1HPGDKDM4EMAPK10
SCHEMBL13196160 0.81 TDP1 (0.70) TDP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL8978622 0.80 HPGD (0.79) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL20869730 0.80 ALDH1A1 (0.73) TDP1ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 US disclosed
US-8829016-B2 Triazole compounds as potential anti-inflammatory agents KING SAUD UNIVERSITY (SA) 2014-09-09 US disclosed
US-8829016-B2 Triazole compounds as potential anti-inflammatory agents KING SAUD UNIVERSITY (SA) 2014-09-09 US disclosed
US-20140045902-A1 NEW TRIAZOLE COMPOUNDS AS POTENTIAL ANTI-INFLAMMATORY AGENTS KING SAUD UNIVERSITY (SA) 2014-02-13 US disclosed
US-20140045902-A1 NEW TRIAZOLE COMPOUNDS AS POTENTIAL ANTI-INFLAMMATORY AGENTS KING SAUD UNIVERSITY (SA) 2014-02-13 US disclosed
EP-2527335-B1 Triazole compounds as anti-inflammatory agents UNIV KING SAUD (SA) 2013-09-18 EP disclosed
EP-2527335-B1 Triazole compounds as anti-inflammatory agents UNIV KING SAUD (SA) 2013-09-18 EP disclosed
WO-2012146362-A1 TRIAZOLE COMPOUNDS AS POTENTIAL ANTI-INFLAMMATORY AGENTS KING SAUD UNIVERSITY (SA) 2012-11-01 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-20140045902-A1 NEW TRIAZOLE COMPOUNDS AS POTENTIAL ANTI-INFLAMMATORY AGENTS PTGER2, PTGER1, PTGER3 TDP1 3286/4885ALDH1A1 565/4885HPGD 399/4885
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D TDP1 392/4885ALDH1A1 2638/4885HPGD 3887/4885

“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.