SCHEMBL846648

SCHEMBL846648

CC(C)(C)c1nc2cc3nc(C(C)(C)C)[nH]c3cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 2/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
SCN10A Q9Y5Y9 2/20 0.49
KCNH2 Q12809 1/20 0.49
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
AR P10275 3/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FABP6 P51161 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL10248126 0.85 FABP6 (0.55) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL20033691 0.84 ALDH1A1 (0.47) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL17191842 0.84 ALDH1A1 (0.47) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL10248206 0.84 AR (0.58) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL12057079 0.82 KDM4E (0.54) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL23619188 0.79 ALDH1A1 (0.47) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL10248286 0.79 AR (0.47) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL868280 0.79 GAA (0.57) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL18931346 0.79 ALDH1A1 (0.44) KDM4EMAPTHPGDPOLBALDH1A1
SCHEMBL18930156 0.79 ALDH1A1 (0.44) KDM4EMAPTHPGDPOLBALDH1A1

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-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 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-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS KDM4E 3024/4885MAPT 4239/4885HPGD 3892/4885

“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.