SCHEMBL104605

SCHEMBL104605

CC(C)c1ccc(NC(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
PANK3 Q9H999 11/20 0.65
MAPT P10636 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 2/20 0.64
ALDH1A1 P00352 1/20 0.64
THRB P10828 1/20 0.64
MAPK1 P28482 1/20 0.64
KDM4E B2RXH2 1/20 0.63
KMT2A Q03164 2/20 0.63
FAAH O00519 1/20 0.60
TRPV1 Q8NER1 3/20 0.60

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
SCHEMBL4559943 0.87 NPC1 (0.75) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL104337 0.87 RAB9A (0.75) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL1575844 0.85 NPC1 (0.56) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL6764523 0.84 NPC1 (0.71) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL13234926 0.84 LMNA (0.67) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL3568415 0.84 KDM4E (0.67) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9465692 0.83 NPC1 (0.65) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL14597010 0.83 NPC1 (0.69) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL104586 0.83 RAB9A (1.00) NPC1RAB9APANK3MAPTSMN1; SMN2
SCHEMBL178415 0.82 KDM4E (0.65) NPC1RAB9APANK3MAPTSMN1; SMN2

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 10 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
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7816348-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-19 US disclosed
EP-1472225-B1 2-PIPERAZINE-PYRIDINES USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2010-04-28 EP disclosed
US-20070219176-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 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 (5 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 NPC1 1892/4885RAB9A 3030/4885PANK3 1942/4885
US-20070219176-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E NPC1 1299/4885RAB9A 1527/4885PANK3 2418/4885
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN NPC1 4547/4885RAB9A 1938/4885PANK3 795/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 NPC1 4566/4885RAB9A 2172/4885PANK3 784/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 NPC1 4566/4885RAB9A 2172/4885PANK3 784/4885

“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.