SCHEMBL14924422

SCHEMBL14924422

Cc1ccc(N2CC[C@@H](n3ccnc3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
CYP19A1 P11511 2/20 0.36
ADRB1 P08588 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
OGG1 O15527 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL14924423 1.00 LRRK2 (0.41) LRRK2CYP3A4CYP2D6HRH1KCNH2
SCHEMBL14924467 0.91 CYP3A4 (0.41) LRRK2CYP3A4CYP2D6HRH1KCNH2
SCHEMBL5200511 0.86 MAPT (0.45) LRRK2CYP3A4CYP2D6HRH1KCNH2
SCHEMBL14923976 0.85 HRH3 (0.42) LRRK2CYP3A4CYP2D6HRH1KCNH2
SCHEMBL14923987 0.85 HRH3 (0.42) LRRK2CYP3A4CYP2D6HRH1KCNH2
SCHEMBL5200445 0.82 RAD52 (0.42) LRRK2CYP3A4CYP2D6HRH1KCNH2
SCHEMBL5203367 0.80 MAPT (0.44) MAPTCYP19A1ADRB1HRH3
SCHEMBL14923980 0.76 HRH3 (0.46) LRRK2CYP3A4CYP2D6HRH1KCNH2
SCHEMBL19251269 0.76 CYP3A4 (0.47) CYP3A4CYP2D6HRH1KCNH2MAPT
Hydrochloric Acid SCHEMBL28026821 0.76 L3MBTL3 (0.51) CYP3A4CYP2D6HRH1KCNH2MAPT

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 6 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-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 LRRK2 466/4885CYP3A4 4623/4885CYP2D6 4459/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 LRRK2 463/4885CYP3A4 4662/4885CYP2D6 4505/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 LRRK2 463/4885CYP3A4 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.