SCHEMBL10150281

SCHEMBL10150281

CN(C)c1nc(-n2cccc2)nc2c1CCCC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
ADRB2 P07550 1/20 0.43
HTR2C P28335 3/20 0.42
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
C5AR1 P21730 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ABCB1 P08183 2/20 0.33
TUBB3 Q13509 2/20 0.33
VCP P55072 1/20 0.33
ACHE P22303 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
SCHEMBL11285108 0.72 HTR2C (0.67) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL11283943 0.69 HTR2C (0.52) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL6456837 0.68 L3MBTL1 (0.50) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL6455478 0.68 KDM4E (0.60) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL1084144 0.66 CYP1A2 (0.39) L3MBTL1ALDH1A1GAAHTTKDM4E
SCHEMBL1083951 0.66 SMN1; SMN2 (0.53) ALDH1A1LMNAHTTKDM4EHPGD
SCHEMBL27859191 0.65 TUBB3 (0.42) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL8299281 0.64 ALDH1A1 (0.49) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL10150242 0.64 L3MBTL1 (0.50) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL10150256 0.64 LATS1 (0.51) L3MBTL1ALDH1A1LMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 L3MBTL1 4012/4885ALDH1A1 3086/4885LMNA 1783/4885

“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.