SCHEMBL14924040

SCHEMBL14924040

CC(C)c1ccc(N2CCN(C3CCN(C)CC3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.43
PANK3 Q9H999 5/20 0.40
ALDH1A1 P00352 2/20 0.40
SMO Q99835 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
OGA O60502 2/20 0.39
FGFR3 P22607 1/20 0.39
KCNH2 Q12809 1/20 0.39
ACACB O00763 1/20 0.38

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
SCHEMBL26702760 0.92 KDM2B (0.46) KDM2BPANK3SMOHRH3
SCHEMBL14924050 0.86 L3MBTL3 (0.46) PANK3HRH3ACACB
SCHEMBL10127337 0.85 HTR3A (0.49) PANK3ALDH1A1OGA
SCHEMBL14924054 0.85 L3MBTL3 (0.45) HRH3ACACB
SCHEMBL14925546 0.82 RET (0.42) PANK3SMOOGAACACB
SCHEMBL14924447 0.82 GRIN2D (0.47) PANK3ALDH1A1HRH3OGAFGFR3
SCHEMBL17429493 0.81 GRIN2D (0.46) ALDH1A1HRH3OGAFGFR3KCNH2
SCHEMBL14147063 0.80 ALDH1A1 (0.44) PANK3ALDH1A1OGA
SCHEMBL14147068 0.80 MAP4K4 (0.48) KDM2BHRH3ACACB
SCHEMBL14349686 0.80 MAP4K4 (0.48) KDM2BHRH3ACACB

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-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-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 (2 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 KDM2B 2257/4885PANK3 795/4885ALDH1A1 3955/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 KDM2B 2326/4885PANK3 784/4885ALDH1A1 3912/4885

“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.