SCHEMBL9995385

SCHEMBL9995385

CC(C)(C)N(C(=O)O)c1cccc(S)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP2C9 P11712 3/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP2C19 P33261 2/20 0.35
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 4/20 0.32
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 4/20 0.31
TSHR P16473 2/20 0.31
GLA P06280 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
JAK2 O60674 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
SCHEMBL1555330 0.81 ALDH1A1 (0.50) CYP3A4KMT2ACYP2C9MEN1SMN1; SMN2
SCHEMBL67323 0.79 MTNR1A (0.44) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL1025144 0.79 SCN2A (0.39) CYP3A4KMT2ACYP2C9MEN1SMN1; SMN2
SCHEMBL7379122 0.79 RXRA (0.45) CYP3A4KMT2ACYP2C9MEN1SMN1; SMN2
SCHEMBL1026693 0.79 ALDH1A1 (0.42) CYP3A4KMT2ACYP2C9MEN1SMN1; SMN2
SCHEMBL17728900 0.79 HTR3E (0.44) KMT2AMEN1SMN1; SMN2L3MBTL1HTT
SCHEMBL7034982 0.79 KMT2A (0.47) CYP3A4KMT2ACYP2C9MEN1SMN1; SMN2
SCHEMBL23636332 0.77 TP53 (0.48) KMT2AMEN1SMN1; SMN2HTTLMNA
SCHEMBL17501940 0.77 MTNR1A (0.49) SMN1; SMN2LMNARAB9ANPC1
SCHEMBL17555667 0.77 UNG (0.46) CYP3A4KMT2ACYP2C9MEN1SMN1; 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
EP-2975042-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2018-10-03 EP disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
EP-2585470-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2017-01-25 EP disclosed
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 US disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-2975042-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-01-20 EP disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US disclosed
EP-2585470-A2 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHD3ITION OF TYROSINE KINASE ACTIVITY Hanmi Science Co., Ltd. (KR) 2013-05-01 EP disclosed
WO-2011162515-A2 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHD3ITION OF TYROSINE KINASE ACTIVITY HANMI HOLDINGS CO. , LTD. (KR) 2011-12-29 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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN CYP3A4 4623/4885KMT2A 1857/4885CYP2C9 4429/4885
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A CYP3A4 2899/4885KMT2A 3017/4885CYP2C9 3058/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A CYP3A4 2899/4885KMT2A 3017/4885CYP2C9 3058/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 CYP3A4 4662/4885KMT2A 1823/4885CYP2C9 4558/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 CYP3A4 4662/4885KMT2A 1823/4885CYP2C9 4558/4885

“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.