SCHEMBL4473918

SCHEMBL4473918

Cc1sc(N)c(C#N)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
APP P05067 2/20 0.41
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
IKBKB O14920 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 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
Diethylamine SCHEMBL6649663 0.92 MAPT (0.59) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL4484730 0.78 MAPT (0.41) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL4867920 0.78 ALDH1A1 (0.65) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL1798608 0.77 ALDH1A1 (0.64) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL21857518 0.75 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL11113452 0.72 MAPT (0.40) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL11644815 0.71 GRM6 (0.47) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL4469939 0.71 PRKCZ (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4468508 0.70 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL12960157 0.70 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2ANPSR1

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-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
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 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 (4 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 3255/4885ALDH1A1 1463/4885MEN1 3298/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 MAPT 2789/4885ALDH1A1 2048/4885MEN1 3714/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPT 3255/4885ALDH1A1 1463/4885MEN1 3298/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK MAPT 3162/4885ALDH1A1 1559/4885MEN1 3297/4885

“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.