SCHEMBL171058

SCHEMBL171058

CN(C)c1nc(-c2ccccc2O)nc2c1CCNC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
CHEK2 O96017 4/20 0.44
HTR2B P41595 1/20 0.39
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
USP1 O94782 1/20 0.36
WDR48 Q8TAF3 1/20 0.36
KMT2A Q03164 2/20 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
SCHEMBL8298128 0.90 HTR2C (0.44) HTR2CCHEK2HTR2BMAPK1SMN1; SMN2
SCHEMBL8299286 0.83 ALDH1A1 (0.46) HTR2CCHEK2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8299281 0.83 ALDH1A1 (0.49) CHEK2MAPK1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8299277 0.82 ALDH1A1 (0.48) CHEK2MAPK1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8297566 0.82 ALDH1A1 (0.48) CHEK2MAPK1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL172835 0.78 CHEK2 (0.42) CHEK2MAPK1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10150303 0.78 CHEK2 (0.42) CHEK2MAPK1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10150191 0.77 KDM4E (0.44) CHEK2MAPK1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10150198 0.75 MAPK1 (0.40) CHEK2MAPK1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10150313 0.75 KDM4E (0.42) CHEK2MAPK1SMN1; SMN2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663994-B1 TETRAHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMA (US) 2012-03-07 EP disclosed
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
WO-2005014558-A1 CONDENSED PYRAMIDINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 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-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 HTR2C 1871/4885CHEK2 3657/4885HTR2B 1766/4885

“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.