SCHEMBL14924435

SCHEMBL14924435

Cc1ccc(NC2CCN(C(C)C)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.52
HRH3 Q9Y5N1 1/20 0.46
DYRK1A Q13627 4/20 0.45
GSK3B P49841 3/20 0.45
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
ACKR3 P25106 1/20 0.44
JAK1 P23458 1/20 0.43
WHR1 P49842 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PDE10A Q9Y233 1/20 0.42
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
HCAR3 P49019 1/20 0.41
ALDH1A1 P00352 1/20 0.41
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL14924061 0.84 JAK1 (0.45) CCR6HRH3DYRK1AGSK3BJAK1
SCHEMBL17409788 0.83 CCR6 (0.55) CCR6DYRK1AGSK3BCCNKCDK12
SCHEMBL827867 0.82 HCAR3 (0.56) CCR6CCNKCDK12CYP11B1CYP11B2
SCHEMBL10293542 0.79 HCAR3 (0.58) CCR6CCNKCDK12CYP11B1CYP11B2
SCHEMBL13115780 0.79 HCAR3 (0.58) CCR6CYP11B1CYP11B2PDE10AMAPT
SCHEMBL1460502 0.78 CCR6 (0.54) CCR6CCNKCDK12PDE10AMAPT
SCHEMBL13115788 0.78 KDM4E (0.58) CCR6CYP11B1CYP11B2PDE10AMAPT
SCHEMBL5316726 0.78 NOS2 (0.56) HRH3DYRK1AGSK3BJAK1WHR1
SCHEMBL13700891 0.78 CCR6 (0.50) CCR6CCNKCDK12CYP11B1CYP11B2
SCHEMBL13103494 0.78 CCR6 (0.50) CCR6CCNKCDK12CYP11B1CYP11B2

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
EP-2585470-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2017-01-25 EP 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 CCR6 2564/4885HRH3 1824/4885DYRK1A 322/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 CCR6 2197/4885HRH3 1748/4885DYRK1A 296/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 CCR6 2197/4885HRH3 1748/4885DYRK1A 296/4885

“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.