SCHEMBL14924434

SCHEMBL14924434

Cc1ccc(C(=O)NC2CCN(C)CC2)c(Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.73
RAB9A P51151 2/20 0.73
HPGD P15428 2/20 0.55
SLC6A12 P48065 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
TAF1 P21675 1/20 0.48
CECR2 Q9BXF3 1/20 0.48
BRD9 Q9H8M2 1/20 0.48

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
SCHEMBL10282412 0.89 RAB9A (0.86) NPC1RAB9AHPGDSLC6A12TAS1R3
SCHEMBL14094313 0.86 HPGD (0.55) NPC1RAB9AHPGDSLC6A12HRH3
SCHEMBL13162889 0.86 NPC1 (0.53) NPC1RAB9AHPGDTAS1R3TAS1R1
SCHEMBL18010687 0.84 ACKR3 (0.55) NPC1RAB9AHPGDTAS1R3TAS1R1
SCHEMBL14924110 0.83 HPGD (0.51) NPC1RAB9AHPGDSLC6A12HRH3
SCHEMBL29268411 0.82 NPC1 (0.75) NPC1RAB9AHPGDTAS1R3TAS1R1
SCHEMBL4375674 0.82 KMT2A (0.66) NPC1RAB9ASLC6A12ALDH1A1
SCHEMBL14924436 0.82 KMT2A (0.54) NPC1RAB9AHPGDTAS1R3TAS1R1
SCHEMBL29268419 0.81 NPC1 (0.61) NPC1RAB9A
SCHEMBL20273870 0.79 NPC1 (0.50) NPC1RAB9AHPGDALDH1A1HRH3

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 NPC1 4547/4885RAB9A 1938/4885HPGD 3029/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 NPC1 4566/4885RAB9A 2172/4885HPGD 3273/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 NPC1 4566/4885RAB9A 2172/4885HPGD 3273/4885

“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.