SCHEMBL14924023

SCHEMBL14924023

CC(C)c1ccc(CCN2CCN(C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
TMEM97 Q5BJF2 1/20 0.58
KCNJ1 P48048 2/20 0.50
KCNH2 Q12809 2/20 0.50
HRH3 Q9Y5N1 2/20 0.49
LMNA P02545 1/20 0.47
MC4R P32245 1/20 0.47
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14924019 0.88 SIGMAR1 (0.59) SIGMAR1CYP1A2CYP2D6TMEM97KCNJ1
SCHEMBL10169516 0.87 HRH3 (0.59) SIGMAR1CYP1A2KCNJ1KCNH2HRH3
SCHEMBL10169518 0.87 HRH3 (0.65) SIGMAR1CYP1A2HRH3MBTD1L3MBTL3
SCHEMBL14924046 0.86 HRH3 (0.65) SIGMAR1CYP1A2HRH3MBTD1L3MBTL3
SCHEMBL6894415 0.84 LMNA (0.68) SIGMAR1HRH3LMNAMC4R
SCHEMBL13595098 0.83 MEN1 (0.47) SIGMAR1CYP1A2CYP2D6TMEM97KCNJ1
SCHEMBL4547889 0.83 SIGMAR1 (0.59) SIGMAR1KCNH2HRH3L3MBTL3L3MBTL1
SCHEMBL18389943 0.81 SIGMAR1 (0.67) SIGMAR1CYP1A2CYP2D6TMEM97HRH3
SCHEMBL1509554 0.81 LMNA (0.70) SIGMAR1CYP1A2CYP2D6TMEM97KCNJ1
SCHEMBL14924021 0.81 KDM4E (0.48) SIGMAR1KCNJ1KCNH2L3MBTL1

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 SIGMAR1 4821/4885CYP1A2 4648/4885CYP2D6 4459/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 SIGMAR1 4807/4885CYP1A2 4693/4885CYP2D6 4505/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 SIGMAR1 4807/4885CYP1A2 4693/4885CYP2D6 4505/4885

“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.