SCHEMBL10150256

SCHEMBL10150256

CN(C)c1nc(-c2ccncc2)nc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 2/20 0.51
LATS2 Q9NRM7 2/20 0.51
PRKCI P41743 3/20 0.46
L3MBTL1 Q9Y468 5/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
TOP2A P11388 1/20 0.44
PTGS1 P23219 1/20 0.44
ADRB2 P07550 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40

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
SCHEMBL10150242 0.75 L3MBTL1 (0.50) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL10150259 0.73 MEN1 (0.55) PRKCILMNAMEN1KMT2A
SCHEMBL8299281 0.72 ALDH1A1 (0.49) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL10150266 0.72 LMNA (0.56) PRKCILMNAMEN1KMT2A
SCHEMBL8297566 0.71 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL8299277 0.71 ALDH1A1 (0.48) L3MBTL1ALDH1A1LMNAGAAHTT
SCHEMBL10150275 0.70 MEN1 (0.58) PRKCILMNAHTTMEN1KMT2A
SCHEMBL10150263 0.69 LMNA (0.56) PRKCIALDH1A1LMNAHTTKDM4E
SCHEMBL10150269 0.69 PRKCI (0.48) PRKCILMNAMEN1KMT2A
SCHEMBL8299286 0.69 ALDH1A1 (0.46) 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 4 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
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 LATS1 3388/4885LATS2 3061/4885PRKCI 1605/4885

“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.