SCHEMBL14923980

SCHEMBL14923980

CC(C)c1ccc(N2CCC(n3ccnc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP17A1 P05093 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
TACR2 P21452 1/20 0.38
NOTUM Q6P988 2/20 0.38
LMNA P02545 2/20 0.37

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 0.92 HRH3 (0.42) HRH3CYP3A4CYP2D6HRH1KCNH2
SCHEMBL14923976 0.92 HRH3 (0.42) HRH3CYP3A4CYP2D6HRH1KCNH2
SCHEMBL14924467 0.84 CYP3A4 (0.41) CYP3A4CYP2D6HRH1KCNH2CYP17A1
Hydrochloric Acid SCHEMBL28026821 0.81 L3MBTL3 (0.51) HRH3CYP3A4CYP2D6HRH1KCNH2
SCHEMBL19251269 0.81 CYP3A4 (0.47) CYP3A4CYP2D6HRH1KCNH2CYP17A1
SCHEMBL14924422 0.76 LRRK2 (0.41) HRH3CYP3A4CYP2D6HRH1KCNH2
SCHEMBL14924423 0.76 LRRK2 (0.41) HRH3CYP3A4CYP2D6HRH1KCNH2
SCHEMBL5200511 0.76 MAPT (0.45) CYP3A4CYP2D6HRH1KCNH2L3MBTL1
SCHEMBL24123752 0.73 L3MBTL3 (0.68) HRH3L3MBTL1L3MBTL3KDM2B
SCHEMBL14924004 0.73 L3MBTL3 (0.73) HRH3L3MBTL1L3MBTL3KDM2B

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 1824/4885CYP3A4 4623/4885CYP2D6 4459/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885CYP3A4 4662/4885CYP2D6 4505/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885CYP3A4 4662/4885CYP2D6 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.