SCHEMBL4484730

SCHEMBL4484730

CN(C)CCc1sc(N)c(C#N)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 3/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
IKBKB O14920 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
APP P05067 1/20 0.35
POLB P06746 2/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL4473918 0.78 MAPT (0.58) MAPTMEN1KMT2AALDH1A1NPSR1
Diethylamine SCHEMBL6649663 0.74 MAPT (0.59) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL4478338 0.73 KDR (0.57) MEN1KMT2A
SCHEMBL11113452 0.68 MAPT (0.40) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL777298 0.65 KCNH2 (0.60) KCNJ1KCNH2
SCHEMBL11644815 0.65 GRM6 (0.47) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL4469939 0.65 PRKCZ (0.50) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4468508 0.64 ALDH1A1 (0.46) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL16984816 0.63 ALDH1A1 (0.45) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL10477933 0.62 MAPT (0.47) MAPTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 EP disclosed
US-7560552-B2 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES (US) 2009-07-14 US disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 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 (3 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPT 3255/4885MEN1 3298/4885KMT2A 1430/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 MAPT 2789/4885MEN1 3714/4885KMT2A 1294/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPT 3255/4885MEN1 3298/4885KMT2A 1430/4885

“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.