SCHEMBL1370072

SCHEMBL1370072

CC(C)Cn1cc(-c2ccccc2C(C)N(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.43
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 2/20 0.38
PRKCI P41743 1/20 0.35
NAMPT P43490 1/20 0.35
TTK P33981 1/20 0.35
MAPK8 P45983 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
PIM1 P11309 3/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL1368851 0.88 L3MBTL1 (0.55) PDK2MAPK1L3MBTL1ALDH1A1
SCHEMBL1368335 0.85 DYRK1A (0.41) PDK2AXLPIM1DYRK1A
SCHEMBL1369553 0.80 KCNA5 (0.43) PDK2ALDH1A1KCNH2CYP3A4CYP2C9
SCHEMBL3623417 0.80 PDK2 (0.42) PDK2MAPK1L3MBTL1JAK2PRKCI
SCHEMBL1367002 0.79 KCNA5 (0.45) KDM4EKCNH2DYRK1A
SCHEMBL10094351 0.79 PDK2 (0.53) PDK2MAPK1L3MBTL1JAK2NAMPT
SCHEMBL14450904 0.77 RAB9A (0.38) ALDH1A1KCNH2CYP3A4
SCHEMBL14450914 0.76 PRKCZ (0.35) KCNH2
SCHEMBL14450916 0.76 GPR55 (0.41) KDM4EALDH1A1KCNH2CYP3A4
SCHEMBL14450917 0.76 CYP19A1 (0.43) ALDH1A1KCNH2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US claimed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 PDK2 565/4885MAPK1 614/4885L3MBTL1 1720/4885

“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.