SCHEMBL14923976

SCHEMBL14923976

CC(C)c1ccc(N2CCC(n3ccnc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
LRRK2 Q5S007 2/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
TACR2 P21452 1/20 0.37
NOTUM Q6P988 2/20 0.36
CYP17A1 P05093 1/20 0.36
ACACB O00763 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14923987 1.00 HRH3 (0.42) HRH3LRRK2CYP3A4CYP2D6HRH1
SCHEMBL14923980 0.92 HRH3 (0.46) HRH3LRRK2CYP3A4CYP2D6HRH1
SCHEMBL14924423 0.85 LRRK2 (0.41) HRH3LRRK2CYP3A4CYP2D6HRH1
SCHEMBL5200511 0.85 MAPT (0.45) LRRK2CYP3A4CYP2D6HRH1KCNH2
SCHEMBL14924422 0.85 LRRK2 (0.41) HRH3LRRK2CYP3A4CYP2D6HRH1
SCHEMBL5203367 0.77 MAPT (0.44) HRH3ALDH1A1MAPTMAPK1KMT2A
SCHEMBL14924467 0.76 CYP3A4 (0.41) LRRK2CYP3A4CYP2D6HRH1KCNH2
SCHEMBL5200445 0.76 RAD52 (0.42) HRH3LRRK2CYP3A4CYP2D6HRH1
SCHEMBL19251269 0.73 CYP3A4 (0.47) CYP3A4CYP2D6HRH1KCNH2CYP17A1
Hydrochloric Acid SCHEMBL28026821 0.73 L3MBTL3 (0.51) HRH3CYP3A4CYP2D6HRH1KCNH2

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 HRH3 1824/4885LRRK2 466/4885CYP3A4 4623/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885LRRK2 463/4885CYP3A4 4662/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885LRRK2 463/4885CYP3A4 4662/4885

“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.