SCHEMBL3779843

SCHEMBL3779843

NC(=O)[C@@H]1[C@H](N)[C@H]2C=C[C@@H]1C2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.35
POLB P06746 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
APEX1 P27695 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL28071819 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL399572 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL7088576 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL12952342 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL17320247 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL4938419 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL6981275 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL4938867 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
SCHEMBL13282093 1.00 ALDH1A1 (0.51) ALDH1A1CYP2C19RAB9APOLBTDP1
Hydrochloric Acid SCHEMBL31029934 0.98 ALDH1A1 (0.50) ALDH1A1CYP2C19RAB9APOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475263-B1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-28 EP disclosed
US-11524955-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-12-13 US disclosed
US-20200299276-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2020-09-24 US disclosed
US-10710983-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-20170369476-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2017-12-28 US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US disclosed
US-20140350011-A1 Imidazo[4,5-b]pyridine Derivatives as ALK and JAK Modulators for the Treatment of Proliferative Disorders CEPHALON, INC. 2014-11-27 US disclosed
US-20140350011-A1 Imidazo[4,5-b]pyridine Derivatives as ALK and JAK Modulators for the Treatment of Proliferative Disorders CEPHALON, INC. 2014-11-27 US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 US disclosed
US-8426408-B2 Pyrimidine inhibitors of kinases ABBVIE INC. (US) 2013-04-23 US disclosed
US-8030483-B2 Stereoisomerically enriched 3-aminocarbonyl bicycloheptene pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-20100317680-A1 PYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2010-12-16 US disclosed
US-20090176981-A1 Stereoisomerically Enriched 3-Aminocarbonyl Bicycloheptene Pyrimidinediamine Compounds And Their Uses RIGEL PHARMACEUTICALS, INC. (US) 2009-07-09 US disclosed
EP-1812581-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE N-CARBAMATE PROTECTED BETA-LACTAMS BY OPTICAL RESOLUTION EMPLOYING A CANDIDA ANTARCTICA LIPASE RIGEL PHARMACEUTICALS INC (US) 2009-01-28 EP 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 (10 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 ALDH1A1 899/4885CYP2C19 1329/4885RAB9A 3560/4885
US-11524955-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds IRAK4, IRAK1, IRAK3 ALDH1A1 3336/4885CYP2C19 3869/4885RAB9A 3906/4885
US-20140350011-A1 Imidazo[4,5-b]pyridine Derivatives as ALK and JAK Modulators for the Treatment of Proliferative Disorders JAK1, ALK, JAK2 ALDH1A1 653/4885CYP2C19 1852/4885RAB9A 2162/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 ALDH1A1 2289/4885CYP2C19 4330/4885RAB9A 1454/4885
US-20170369476-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK4, IRAK1, IRAK2 ALDH1A1 2531/4885CYP2C19 2799/4885RAB9A 3941/4885
US-20090176981-A1 Stereoisomerically Enriched 3-Aminocarbonyl Bicycloheptene Pyrimidinediamine Compounds And Their Uses MKI67, PCNA, CCNI ALDH1A1 659/4885CYP2C19 2391/4885RAB9A 3384/4885
US-10710983-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds IRAK4, IRAK1, IRAK2 ALDH1A1 2531/4885CYP2C19 2799/4885RAB9A 3941/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885CYP2C19 3997/4885RAB9A 1517/4885
US-20200299276-A1 2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHOD FOR MAKING AND USING THE COMPOUNDS IRAK4, IRAK1, IRAK3 ALDH1A1 3318/4885CYP2C19 3975/4885RAB9A 3878/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 ALDH1A1 2838/4885CYP2C19 3997/4885RAB9A 1517/4885

“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.