SCHEMBL4867499

SCHEMBL4867499

CC(C)n1cncc1C(=O)C=CN(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 3/20 0.39
RECQL P46063 2/20 0.39
MAPT P10636 8/20 0.38
RAB9A P51151 5/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 2/20 0.37
ALOX12 P18054 1/20 0.37
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA1 P14867 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL4867493 1.00 HTT (0.44) HTTALDH1A1TDP1RECQLMAPT
SCHEMBL6103804 0.80 HTT (0.47) HTTALDH1A1TDP1RECQLMAPT
SCHEMBL6103800 0.80 HTT (0.47) HTTALDH1A1TDP1RECQLMAPT
SCHEMBL27981450 0.78 ALDH1A1 (0.49) ALDH1A1TDP1LMNACYP1A2CYP2C19
SCHEMBL9837208 0.73 ALDH1A1 (0.65) ALDH1A1TDP1LMNACYP1A2CYP2C19
SCHEMBL1714082 0.73 ALDH1A1 (0.47) ALDH1A1TDP1LMNACYP1A2CYP2C19
SCHEMBL25135971 0.72 ALDH1A1 (0.46) ALDH1A1TDP1LMNACYP1A2CYP2C19
SCHEMBL1156190 0.72 MAPT (0.40) HTTALDH1A1TDP1RECQLMAPT
SCHEMBL278962 0.72 MAPT (0.40) HTTALDH1A1TDP1RECQLMAPT
SCHEMBL3557099 0.70 MAPT (0.38) HTTALDH1A1TDP1RECQLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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 HTT 4278/4885ALDH1A1 130/4885TDP1 219/4885

“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.