SCHEMBL14924445

SCHEMBL14924445

Cc1ccc(N2CCN(CCN(C)C)CC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.56
DRD3 P35462 4/20 0.56
DRD1 P21728 3/20 0.56
DRD5 P21918 3/20 0.56
DRD4 P21917 2/20 0.56
HTR1A P08908 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR7 P34969 1/20 0.56
CARM1 Q86X55 2/20 0.47
RET P07949 1/20 0.45
DHFR P00374 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43

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
SCHEMBL3398177 0.84 TLR7 (0.46) DRD2DRD3DRD1DRD5DRD4
SCHEMBL15496957 0.83 DRD2 (0.60) DRD2DRD3DRD1DRD5DRD4
SCHEMBL12859199 0.82 DRD2 (0.59) DRD2DRD3DRD1DRD5DRD4
SCHEMBL14924066 0.82 RET (0.43) DRD2DRD3DRD1DRD5DRD4
SCHEMBL27728208 0.81 DRD4 (0.55) DRD4HTR7TLR7PPARGPPARA
SCHEMBL16627261 0.81 RET (0.52) HTR7RETALDH1A1PANK3L3MBTL1
SCHEMBL21424864 0.80 GRIN2D (0.59) DRD2DRD3DRD1DRD5DRD4
SCHEMBL14376090 0.80 KDM4E (0.56) DRD2DRD3DRD1DRD5DRD4
SCHEMBL13103485 0.79 DRD2 (0.63) DRD2DRD3DRD1DRD5DRD4
SCHEMBL13136651 0.79 USP2 (0.43) DRD2DRD3DRD4HTR1AHTR2A

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 DRD2 4609/4885DRD3 4715/4885DRD1 4700/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 DRD2 4692/4885DRD3 4742/4885DRD1 4735/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 DRD2 4692/4885DRD3 4742/4885DRD1 4735/4885

“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.