SCHEMBL14923974

SCHEMBL14923974

CC(C)c1ccc(N2CC(C)N(C)C(C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NOTUM Q6P988 2/20 0.37
LMNA P02545 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
PANK3 Q9H999 2/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL23544859 1.00 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMGLLALDH1A1
SCHEMBL23544861 1.00 L3MBTL1 (0.46) L3MBTL1MEN1KMT2AMGLLALDH1A1
SCHEMBL1045933 0.82 MAPT (0.52) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL1047573 0.82 MAPT (0.52) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL29310072 0.82 ADRA2A (0.43) L3MBTL1
SCHEMBL24352439 0.82 ADRA2A (0.43) L3MBTL1
SCHEMBL19012583 0.81 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AMGLLALDH1A1
SCHEMBL82062 0.80 ADRB1 (0.44) MEN1KMT2AMAPTHRH3TGFBR1
SCHEMBL82109 0.80 ADRB1 (0.44) MEN1KMT2AMAPTHRH3TGFBR1
SCHEMBL24352441 0.79 MAPT (0.53) L3MBTL1MEN1KMT2AMGLLALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 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-RE46511-E1 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2017-08-15 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 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 (4 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 L3MBTL1 2596/4885MEN1 4259/4885KMT2A 1857/4885
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH L3MBTL1 2398/4885MEN1 613/4885KMT2A 325/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 L3MBTL1 2790/4885MEN1 3929/4885KMT2A 1823/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 L3MBTL1 2790/4885MEN1 3929/4885KMT2A 1823/4885

“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.