SCHEMBL1703040

SCHEMBL1703040

Nc1cnn(CCN2CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.36
LTA4H P09960 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
PLAU P00749 1/20 0.35
TERT O14746 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
AHR P35869 1/20 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
SCHEMBL1703940 0.98 SIGMAR1 (0.43) SIGMAR1MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL18410254 0.89 HRH3 (0.41) SIGMAR1MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL14699099 0.88 HRH3 (0.45) SIGMAR1ALDH1A1HRH3
SCHEMBL1665137 0.88 HRH3 (0.43) SIGMAR1MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL12802002 0.86 HRH3 (0.38) SIGMAR1MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL1284882 0.86 PIM1 (0.43) MAPTLMNAJAK2JAK3JAK1
SCHEMBL522038 0.86 LMNA (0.42) SIGMAR1MAPTLMNAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL23212528 0.84 PIM1 (0.42) MAPTLMNAJAK2JAK3JAK1
SCHEMBL15651238 0.84 PAICS (0.41) SIGMAR1MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL17076772 0.84 MAPT (0.41) SIGMAR1MAPTLMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-05-31 US disclosed
US-20210077489-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-03-18 US disclosed
US-8969335-B2 Benzonitrile derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-03 US disclosed
US-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
US-8633173-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC (US) 2014-01-21 US disclosed
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. 2013-11-07 US disclosed
US-8501936-B2 Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives CEPHALON, INC. (US) 2013-08-06 US disclosed
US-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US disclosed
WO-2013034238-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-03-14 WO disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
EP-2440548-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS Abbott Laboratories (US) 2012-04-18 EP disclosed
EP-2438066-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a]PYRIDINE DERIVATIVES Cephalon, Inc. (US) 2012-04-11 EP disclosed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 US disclosed
WO-2010144468-A1 2- ( LH-PYRAZOL-4 -YLAMINO ) -PYRIMIDINE AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CEPHALON, INC. (US) 2010-12-09 US disclosed
WO-2010141796-A2 PREPARATION AND USES OF 1,2,4-TRIAZOLO [1,5a] PYRIDINE DERIVATIVES CEPHALON, INC. (US) 2010-12-09 WO disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 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 (7 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-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB SIGMAR1 4405/4885MAPT 2310/4885LMNA 2413/4885
US-20210077489-A1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF JAK1, JAK3, JAK2 SIGMAR1 3413/4885MAPT 3106/4885LMNA 4776/4885
US-20130296312-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives JAK2, JAK1, JAK3 SIGMAR1 1719/4885MAPT 4573/4885LMNA 2075/4885
US-20140228340-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS TBK1, NFKBIA, IKBKG SIGMAR1 1997/4885MAPT 1632/4885LMNA 1141/4885
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 SIGMAR1 2025/4885MAPT 3012/4885LMNA 2619/4885
US-20100311693-A1 Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives CCNA1, CCNY, RB1 SIGMAR1 2851/4885MAPT 3854/4885LMNA 835/4885
US-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof JAK1, JAK3, JAK2 SIGMAR1 3413/4885MAPT 3106/4885LMNA 4776/4885

“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.