SCHEMBL2255671

SCHEMBL2255671

COCCNc1nn2cc(I)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
PIK3CG P48736 1/20 0.36
RAB9A P51151 3/20 0.35
TP53 P04637 2/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 2/20 0.33
MAPK14 Q16539 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL1947874 0.78 F2RL3 (0.57) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL1947772 0.77 MAPT (0.52) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL1946947 0.77 F2RL3 (0.60) MAPTKDM4ESMN1; SMN2RAB9ATP53
SCHEMBL2256634 0.75 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL1944826 0.75 MAPT (0.47) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL1944427 0.75 FYN (0.45) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL1947673 0.75 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL1945976 0.74 F2RL3 (0.61) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL1944832 0.74 EGFR (0.44) ALDH1A1MAPTKDM4EHTTLMNA
SCHEMBL1947329 0.74 F2RL3 (0.44) ALDH1A1MAPTKDM4EHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193133-B1 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-19 EP disclosed
US-8563550-B2 Imidazolothiadiazoles for use as protein kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) 2013-10-22 US disclosed
US-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-08-04 US disclosed
EP-2193133-A2 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-06-09 EP disclosed
WO-2009040552-A2 SUBSTITUTED IMIDAZO (2, 1-B) -1, 3, 4-THIAZOLE COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2009-04-02 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 (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-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 ALDH1A1 2966/4885MAPT 3189/4885KDM4E 1465/4885

“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.