SCHEMBL473552

SCHEMBL473552

COCC(=O)N[C@H]1CC[C@H](N)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.68
SMYD3 Q9H7B4 5/20 0.53
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.41
ATF4 P18848 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL473429 1.00 NPSR1 (0.68) NPSR1SMYD3ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL20421744 0.98 NPSR1 (0.66) NPSR1SMYD3ALDH1A1MEN1KMT2A
SCHEMBL2090052 0.90
Carbamic Acid SCHEMBL11200157 0.87 NPSR1 (0.70) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL12425654 0.83 NPSR1 (0.70) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL14492244 0.83 NPSR1 (0.70) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL22651967 0.83 NPSR1 (0.70) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13130101 0.83 NPSR1 (0.70) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL2091865 0.82 NPSR1 (0.96) NPSR1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2092328 0.82 NPSR1 (0.89) NPSR1ALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331877-B1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RES DEV CO OF HEBREW UNIV JERUSALEM LTD (IL) 2021-09-22 EP disclosed
US-20210251992-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2021-08-19 US disclosed
US-10960003-B2 Pyrazole pyrimidine derivative and uses thereof BIOTHERYX, INC. (US) 2021-03-30 US disclosed
US-10376511-B2 Pyrazole pyrimidine derivative and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-08-13 US disclosed
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. ISRAELI COMPANY, OF (IL) 2018-08-02 US disclosed
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. ISRAELI COMPANY, OF (IL) 2018-08-02 US disclosed
WO-2017021969-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2017-02-09 WO disclosed
US-8962622-B2 Benzotriazole kinase modulators ROCHE PALO ALTO LLC (US) 2015-02-24 US disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
EP-2066319-B1 BENZOTRIAZOLE KINASE MODULATORS HOFFMANN LA ROCHE (CH) 2012-02-01 EP disclosed
US-20080103142-A1 Benzotriazole kinase modulators ROCHE PALO ALTO LLC 2008-05-01 US disclosed
WO-2008028860-A1 BENZOTRIAZOLE KINASE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 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 (5 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-10960003-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 NPSR1 4090/4885SMYD3 3792/4885ALDH1A1 1217/4885
US-20210251992-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 NPSR1 4090/4885SMYD3 3792/4885ALDH1A1 1217/4885
US-10376511-B2 Pyrazole pyrimidine derivative and uses thereof IRAK1, IRAK2, IRAK3 NPSR1 4090/4885SMYD3 3792/4885ALDH1A1 1217/4885
US-20180214447-A1 PYRAZOLE PYRIMIDINE DERIVATIVE AND USES THEREOF IRAK1, IRAK2, IRAK3 NPSR1 4090/4885SMYD3 3792/4885ALDH1A1 1217/4885
US-20080103142-A1 Benzotriazole kinase modulators CDK1, CDK3, MAPK1 NPSR1 2610/4885SMYD3 1933/4885ALDH1A1 2630/4885

“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.