SCHEMBL16247255

SCHEMBL16247255

CC(C)(C)c1cnc(F)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
PLAU P00749 1/20 0.35
MAPK1 P28482 1/20 0.34
LMNA P02545 4/20 0.33
HTT P42858 3/20 0.33
CYP2C19 P33261 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL28605251 0.83 TSHR (0.43) ALDH1A1SMN1; SMN2KDM4EPOLBPLAU
SCHEMBL805963 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBPLAU
SCHEMBL30285317 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EPOLBPLAU
SCHEMBL10758017 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBPLAU
SCHEMBL10354380 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EPOLBPLAU
SCHEMBL12169273 0.78 ALOX5AP (0.41)
SCHEMBL13165466 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EPOLBPLAU
SCHEMBL9967854 0.78 POLB (0.38) KDM4EPOLB
SCHEMBL18417644 0.77 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4EPOLBPLAU
SCHEMBL12241428 0.77 CHRNB2 (0.40) ALDH1A1SMN1; SMN2KDM4EPOLBPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 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-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 ALDH1A1 1849/4885SMN1; SMN2 3944/4885KDM4E 705/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 ALDH1A1 1849/4885SMN1; SMN2 3944/4885KDM4E 705/4885

“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.