SCHEMBL14924430

SCHEMBL14924430

Cc1ccc(NC2CCN(C(C)C)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 2/20 0.41
ACKR3 P25106 2/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
MAPT P10636 1/20 0.39
WHR1 P49842 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 2/20 0.37
EHMT2 Q96KQ7 2/20 0.37
NSD2 O96028 1/20 0.37
EHMT1 Q9H9B1 1/20 0.36

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
SCHEMBL14924069 0.84 HRH3 (0.42) HRH3ACKR3MAPTWHR1KDM4E
SCHEMBL12988965 0.84 POLB (0.44) KCNH2ACKR3KDM4EGAAALDH1A1
SCHEMBL8042423 0.83 ROCK2 (0.41) MAPTKDM4EGAAALDH1A1
SCHEMBL19697059 0.82 HRH3 (0.41) HRH3ACKR3MAPTWHR1KDM4E
SCHEMBL12989746 0.81 IRAK4 (0.44) KDM4EGAA
SCHEMBL12990039 0.81 KDM4E (0.45) ACKR3MAPTKDM4EGAAALDH1A1
SCHEMBL12988831 0.80 KDM4E (0.53) UBE2MDCUN1D1MAPTKDM4EGAA
SCHEMBL18010743 0.79 ALDH1A1 (0.49) MAPTKDM4EGAAALDH1A1
SCHEMBL12990020 0.78 KDM4E (0.45) KCNH2SCN5AMAPTKDM4EGAA
SCHEMBL18010741 0.78 OPRM1 (0.46) MAPT

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-9840517-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-12 US disclosed
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-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 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-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 HRH3 2142/4885KCNH2 2726/4885SCN5A 2741/4885
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN HRH3 1824/4885KCNH2 4108/4885SCN5A 3574/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885KCNH2 4080/4885SCN5A 3889/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 HRH3 1748/4885KCNH2 4080/4885SCN5A 3889/4885

“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.