SCHEMBL1948007

SCHEMBL1948007

c1cncc(-c2cn3nc(NC4CCCCC4)sc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
FYN P06241 3/20 0.45
PABPC1 P11940 1/20 0.44
GBA1 P04062 4/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CSF1R P07333 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE7A Q13946 1/20 0.40
ATM Q13315 1/20 0.40
ATR Q13535 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL1944243 0.81 FYN (0.62) FYNNPC1RAB9AADORA3ADORA2A
SCHEMBL1944785 0.81 F2RL3 (0.55) FYNNPC1RAB9AADORA3ADORA2A
SCHEMBL1946233 0.81 FYN (0.56) CCNA2CDK2FYNNPC1KMT2A
SCHEMBL1946595 0.81 MAPT (0.53) FYNNPC1RAB9AMEN1KMT2A
SCHEMBL1944906 0.81 FYN (0.47) FYNNPC1RAB9AMEN1KMT2A
SCHEMBL1944732 0.80 FYN (0.55) FYNGBA1NPC1RAB9AMEN1
SCHEMBL1946551 0.80 FYN (0.43) FYNNPC1RAB9ATP53
SCHEMBL1946002 0.80 SMN1; SMN2 (0.43) CCNA2CDK2FYNGAANPC1
SCHEMBL1944169 0.79 FYN (0.53) FYNNPC1RAB9APDE4BTP53
SCHEMBL1945224 0.79 F2RL3 (0.57) CDK2FYNNPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP claimed
EP-2193133-B1 IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN KINASE INHIBITORS FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-19 EP disclosed
EP-2307425-B1 IMIDAZOTHIADIAZOLES DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-26 EP disclosed
US-8563550-B2 Imidazolothiadiazoles for use as protein kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) 2013-10-22 US disclosed
US-8389554-B2 Imidazothiadiazole derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-03-05 US disclosed
US-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2011-08-04 US disclosed
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-06-02 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 (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-20110190289-A1 Imidazolothiadiazoles for Use as Protein Kinase Inhibitors PIM1, PIM3, PIM2 CCNA2 897/4885CDK2 75/4885FYN 383/4885
US-20110130396-A1 IMIDAZOTHIADIAZOLE DERIVATIVES TGFBR1, TGFBR2, IGF1R CCNA2 608/4885CDK2 59/4885FYN 1977/4885

“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.