SCHEMBL3512602

SCHEMBL3512602

CC(C)(C)NC(=O)NCCO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
KDM4C Q9H3R0 1/20 0.45
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
EPHX2 P34913 2/20 0.37
CACNA1H O95180 5/20 0.36
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 3/20 0.36
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 1/20 0.33

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
SCHEMBL19171338 0.87 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL3514860 0.86 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL20017302 0.85 NPC1 (0.55) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL19171376 0.83 EPHX1 (0.57) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL19164342 0.83 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL19171900 0.81 EPHX1 (0.60) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL19171947 0.81 EPHX1 (0.60) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL3512598 0.81 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL7816137 0.81 KDM4C (0.67) NPC1RAB9AMAPTSMN1; SMN2KDM4C
SCHEMBL15341360 0.80 NPC1 (0.46) NPC1RAB9AMAPTSMN1; SMN2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP claimed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US claimed
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP claimed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 WO claimed
US-20210047312-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2021-02-18 US disclosed
US-10858355-B2 Inhibitors of phosphatidylinositol 3-kinase gamma ASTRAZENECA AB (SE) 2020-12-08 US disclosed
US-20200299289-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2020-09-24 US disclosed
US-8846699-B2 Quinazoline derivatives as a multiplex inhibitor and method for the preparation thereof HANMI PHARM. CO., LTD. (KR) 2014-09-30 US disclosed
EP-1951686-B1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM IND CO LTD (KR) 2013-04-03 EP disclosed
US-RE42375-E1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2011-05-17 US disclosed
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof HANMI PHARM. CO., LTD (KR) 2008-12-25 US disclosed
EP-1951686-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF Hanmi Pharm. Co., Ltd. (KR) 2008-08-06 EP disclosed
US-7368452-B2 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
WO-2007055514-A1 QUINAZOLINE DERIVATIVES AS A MULTIPLEX INHIBITOR AND METHOD FOR THE PREPARATION THEREOF HANMI PHARM. CO., LTD. (KR) 2007-05-18 WO disclosed
US-20070108405-A1 Compositions and methods for delivery of biologically active agents FH FAULDING & CO., LTD. (AU) 2007-05-17 US disclosed
US-20070108405-A1 Compositions and methods for delivery of biologically active agents FH FAULDING & CO., LTD. (AU) 2007-05-17 US disclosed
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-7176208-B2 Prevent reproduction of hepatitis virus ENANTA PHARMACEUTICALS, INC. (US) 2007-02-13 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 (6 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-20210047312-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA PIK3CD, PIK3CG, PIK3CA NPC1 1960/4885RAB9A 605/4885MAPT 3876/4885
US-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB NPC1 1148/4885RAB9A 1851/4885MAPT 4503/4885
US-10858355-B2 Inhibitors of phosphatidylinositol 3-kinase gamma PIK3CD, PIK3CG, PIK3CA NPC1 1960/4885RAB9A 605/4885MAPT 3876/4885
US-20200299289-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA PI4KA, PIK3CD, PI4KB NPC1 1903/4885RAB9A 609/4885MAPT 3099/4885
US-20070060510-A1 Quinoxalinyl macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, HPN NPC1 398/4885RAB9A 2638/4885MAPT 4479/4885
US-20080318950-A1 Quinazoline Derivatives as a Multiplex Inhibitor and Method For the Preparation Thereof ABL1, JAK1, BTK NPC1 3555/4885RAB9A 692/4885MAPT 1395/4885

“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.