SCHEMBL1714082

SCHEMBL1714082

CC(=O)c1cncn1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.42
GABRA1 P14867 7/20 0.40
GABRB2 P47870 6/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCB11 O95342 1/20 0.40
GABRA2 P47869 1/20 0.40
GPBAR1 Q8TDU6 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HCAR3 P49019 1/20 0.33
KCNH2 Q12809 1/20 0.32
MAP3K5 Q99683 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
SCHEMBL9837208 0.84 ALDH1A1 (0.65) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL25135971 0.82 ALDH1A1 (0.46) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL11387344 0.79 MAPK1 (0.64) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL24966163 0.78 ALDH1A1 (0.80) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL16903901 0.76 GPBAR1 (0.60) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL15201048 0.73 LMNA (0.45) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL890196 0.72
SCHEMBL24860332 0.70 ALDH1A1 (0.37) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL15201119 0.70 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1GABRA1GABRB2
SCHEMBL15201802 0.70 CYP11B1 (0.44) ALDH1A1TDP1CYP11B1CYP11B2LMNA

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
EP-1927590-B1 METHOD FOR PRODUCING 1-SUBSTITUTED-5-ACYLIMIDAZOLE COMPOUND UBE INDUSTRIES (JP) 2011-07-20 EP disclosed
US-7858807-B2 Method for producing 1-substituted-5-acylimidazole compound UBE INDUSTRIES, LTD. (JP) 2010-12-28 US disclosed
US-20090306399-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-5-ACYLIMIDAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 2009-12-10 US disclosed
US-7427626-B2 2-Anilino-4-(imidazol-5-yl)-pyrimidine derivatives and their use as cdk (cdk2) inhibitors ASTRAZENECA AB (SE) 2008-09-23 US disclosed
EP-1927590-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-5-ACYLIMIDAZOLE COMPOUND Ube Industries, Ltd. (JP) 2008-06-04 EP disclosed
US-20070037839-A1 useful in Pharmaceutical medicines or pharmacological tools; cytostatic agents; antiproliferative/antineoplastic agents; 2-Anilino-4-[1-isopropyl-2-(hydroxyiminomethyl)imidazol-5-yl]pyrimidine; rheumatoid arthritis; breast cancer ASTRAZENECA AB (SE) 2007-02-15 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-20070037839-A1 useful in Pharmaceutical medicines or pharmacological tools; cytostatic agents; antiproliferative/antineoplastic agents; 2-Anilino-4-[1-isopropyl-2-(hydroxyiminomethyl)imidazol-5-yl]pyrimidine; rheumatoid arthritis; breast cancer MKI67, CCNI, TYMP ALDH1A1 130/4885TDP1 219/4885MAPK1 1924/4885
US-20090306399-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-5-ACYLIMIDAZOLE COMPOUND AADAC, KAT5, HDAC5 ALDH1A1 659/4885TDP1 4262/4885MAPK1 2046/4885

“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.