SCHEMBL449119

SCHEMBL449119

c1ccc2c(c1)[N]CCS2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
RYR2 Q92736 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.32
S100A4 P26447 1/20 0.31
NOTUM Q6P988 1/20 0.31

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
SCHEMBL1238031 0.87 ALDH1A1 (0.40) POLBALDH1A1MEN1GAAKMT2A
SCHEMBL2516584 0.70 MEN1 (0.34) ALDH1A1MEN1GAAKMT2ARYR2
SCHEMBL2825005 0.70 ALDH1A1 (0.34) ALDH1A1MEN1GAAKMT2A
SCHEMBL6684739 0.70 TRPA1 (0.38) ALDH1A1MEN1GAAKMT2ARYR2
SCHEMBL11531367 0.68 NOS3 (0.33) POLBTRPA1
SCHEMBL31001736 0.68 ALDH1A1 (0.48) POLBALDH1A1MEN1GAAKMT2A
SCHEMBL255970 0.68 ALDH1A1 (0.48) POLBALDH1A1MEN1GAAKMT2A
SCHEMBL9636598 0.67 HPGD (0.37) ALDH1A1MEN1GAAKMT2ARYR2
SCHEMBL3427209 0.65 TRPA1 (0.38) POLBALDH1A1MEN1GAAKMT2A
SCHEMBL2512554 0.65 MEN1 (0.34) POLBALDH1A1MEN1GAAKMT2A

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 186 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810777-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF NEUROLOGICAL DISORDERS Yumanity Therapeutics, Inc. (US) 2021-04-28 EP claimed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP claimed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US claimed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US claimed
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP claimed
EP-1134213-B1 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER (US) 2005-11-02 EP claimed
US-6555569-B2 Especially for treatment of Chlamydia pneumoniae PFIZER INC. 2003-04-29 US claimed
US-20030004162-A1 Use of glycogen phosphorylase inhibitors TREADWAY JUDITH L (US) 2003-01-02 US claimed
US-20020123513-A1 Use of glycogen phosphorylase inhibitors to inhibit tumor growth PFIZER PRODUCTS INC. 2002-09-05 US claimed
US-20020031816-A1 METHOD OF INHIBITION OF HUMAN GLYCOGEN PHOSPHORYLASE PFIZER PRODUCTS INC. 2002-03-14 US claimed
EP-1136071-A2 Use of glycogen phosphorylase inhibitors Pfizer Products Inc. (US) 2001-09-26 EP claimed
EP-1134213-A2 Process for the preparation of substituted N-(indole-2-carbonyl)- glycinamides PFIZER INC. (US) 2001-09-19 EP claimed
US-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US claimed
US-6107329-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS PFIZER, INC. (US) 2000-08-22 US claimed
EP-0978279-A1 Inhibitors of human glycogen phosphorylase Pfizer Products Inc. (US) 2000-02-09 EP claimed
US-5952322-A AMIDE-SUBSTITUTED BENZIMIDAZOLE, INDOLE DERIVATIVES PFIZER INC. (US) 1999-09-14 US claimed
EP-0846464-A2 Use of glycogen phosphorylase inhibitor for reducing non-cardiac tissue damage resulting from ischemia PFIZER INC. (US) 1998-06-10 EP claimed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP claimed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO claimed
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US claimed

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-20020123513-A1 Use of glycogen phosphorylase inhibitors to inhibit tumor growth PYGL, PYGM, G6PC1 POLB 1089/4885ALDH1A1 626/4885MEN1 1199/4885
US-20030004162-A1 Use of glycogen phosphorylase inhibitors PYGL, PYGM, GYS2 POLB 1104/4885ALDH1A1 2056/4885MEN1 4180/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 POLB 642/4885ALDH1A1 3315/4885MEN1 2578/4885

“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.