SCHEMBL14923965

SCHEMBL14923965

CCS(=O)(=O)N1CCN(c2ccc(C(C)C)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MMP13 P45452 2/20 0.47
MMP14 P50281 2/20 0.47
RECQL P46063 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL23544849 0.85 CYP17A1 (0.50) KDM4EALDH1A1NPSR1MMP13MMP14
SCHEMBL11977001 0.85 MEN1 (0.52) KDM4EALDH1A1NPSR1RECQLMAPT
SCHEMBL25839464 0.84 KCNH2 (0.48) KDM4EALDH1A1NPSR1RECQLMAPT
SCHEMBL900049 0.83 MAPT (0.61) KDM4EALDH1A1NPSR1RECQLHSD17B10
SCHEMBL20251137 0.82 MAPT (0.51) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL12082286 0.81 KMT2A (0.67) KDM4EALDH1A1HSD17B10MAPTKMT2A
SCHEMBL20883571 0.81 ALDH1A1 (0.45) KDM4EALDH1A1NPSR1RECQLMAPT
SCHEMBL14923988 0.81 KMT2A (0.72) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL17147398 0.80 MAPT (0.63) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL763179 0.79 KDM4E (0.59) KDM4EALDH1A1HSD17B10MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US 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-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

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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN KDM4E 1688/4885ALDH1A1 3955/4885NPSR1 4493/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 KDM4E 1746/4885ALDH1A1 3912/4885NPSR1 4303/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 KDM4E 1746/4885ALDH1A1 3912/4885NPSR1 4303/4885

“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.