SCHEMBL3555838

SCHEMBL3555838

CCO/C=C/c1cc(C)nc(SC)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 4/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
APP P05067 1/20 0.33
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL3555840 1.00 KMT2A (0.41) KMT2ATHRBALDH1A1GAALMNA
SCHEMBL31093340 0.78 KMT2A (0.37) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL21194413 0.78 KMT2A (0.37) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL2233943 0.75 MEN1 (0.34) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL2233944 0.75 MEN1 (0.34) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL21192963 0.72 CYP1A2 (0.36) ALDH1A1GAALMNATSHRMAPT
SCHEMBL21192966 0.72 CYP1A2 (0.36) ALDH1A1GAALMNATSHRMAPT
SCHEMBL7981948 0.72 LMNA (0.39) KMT2ATHRBALDH1A1GAALMNA
SCHEMBL14960518 0.71 KMT2A (0.42) KMT2ATHRBALDH1A1GAALMNA
SCHEMBL20860745 0.71 LMNA (0.33) KMT2AALDH1A1LMNATSHRMAPT

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
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-7709475-B2 5-[2-(cyclohexyloxy)-6-methyl-4-pyrimidinyl]-2-[5-(4-methyl-1-piperazinyl)methyl-2-pyrazinyl]amino-1,3-thiazole; anticarcinogenic agent; G1 phase in cell cycle; great selectivity BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-04 US disclosed
US-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton BANYU PHARMACEUTICAL CO., LTD (JP) 2008-04-03 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A KMT2A 847/4885THRB 3159/4885ALDH1A1 4349/4885
US-20080081811-A1 Selective Inhibitors Against Cdk4 and Cdk6 Having Aminothiazole Skeleton CDK4, CDK6, CDK3 KMT2A 233/4885THRB 2414/4885ALDH1A1 3347/4885

“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.