SCHEMBL14923971

SCHEMBL14923971

CC(C)c1ccc(N2CC[C@H](N(C)C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.47
MCHR1 Q99705 11/20 0.46
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KCNH2 Q12809 2/20 0.41
ACACB O00763 1/20 0.39

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
SCHEMBL16451234 0.90 HRH3 (0.47) RORCHTR2AHTR2CHRH3
SCHEMBL24123763 0.86 HRH3 (0.42) RORCHTR2AHTR2CHRH3ACACB
SCHEMBL188110 0.83 MCHR1 (0.48) RORCMCHR1KCNH2
SCHEMBL24681150 0.83 MCHR1 (0.59) RORCMCHR1KCNH2
SCHEMBL188535 0.83 MCHR1 (0.48) RORCMCHR1KCNH2
SCHEMBL188111 0.83 MCHR1 (0.48) RORCMCHR1KCNH2
Hydrochloric Acid SCHEMBL5388918 0.82 MCHR1 (0.47) RORCMCHR1KCNH2
SCHEMBL14450799 0.81 MCHR1 (0.49) RORCMCHR1KCNH2
SCHEMBL14924424 0.81 MCHR1 (0.49) RORCMCHR1KCNH2
SCHEMBL34469712 0.81 MCHR1 (0.49) RORCMCHR1HRH3KCNH2

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 RORC 652/4885MCHR1 4849/4885HTR2A 4515/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 RORC 699/4885MCHR1 4820/4885HTR2A 4606/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 RORC 699/4885MCHR1 4820/4885HTR2A 4606/4885

“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.