SCHEMBL14924039

SCHEMBL14924039

CC(C)c1ccc(N2CCN(S(C)(=O)=O)CC2)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 2/20 0.61
RORC P51449 2/20 0.52
NPSR1 Q6W5P4 3/20 0.47
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
PKM P14618 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
SLC6A9 P48067 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL14924038 0.87 HSD17B10 (0.62) ALDH1A1SMN1; SMN2LMNARORCNPSR1
SCHEMBL17306168 0.83 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL14924446 0.82 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNARORCNPSR1
SCHEMBL993691 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2LMNARORCNPSR1
SCHEMBL25085653 0.80 GAA (0.40) ALDH1A1SMN1; SMN2LMNAKDM4ESLC6A9
SCHEMBL13607124 0.80 KDM4E (0.56) ALDH1A1SMN1; SMN2LMNAPOLBMAPK1
SCHEMBL12160700 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPSR1KMT2AHTT
SCHEMBL22209326 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNARORCNPSR1
SCHEMBL16249197 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPSR1KMT2AHTT
SCHEMBL20457904 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AHSD17B10

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 ALDH1A1 3955/4885SMN1; SMN2 3453/4885LMNA 4582/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 ALDH1A1 3912/4885SMN1; SMN2 3653/4885LMNA 4563/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 ALDH1A1 3912/4885SMN1; SMN2 3653/4885LMNA 4563/4885

“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.