SCHEMBL5121680

SCHEMBL5121680

NC(=O)c1nc(-c2sccc2NC(=O)NCc2ccccc2Cl)nc(O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK8 P45983 3/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
MAPK10 P53779 2/20 0.36
TP53 P04637 1/20 0.36
MAPK9 P45984 1/20 0.36
LMNA P02545 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HPGD P15428 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
SCHEMBL3836880 0.91 RAB9A (0.43) RAB9AROCK2ROCK1NPC1MAPK8
SCHEMBL5130220 0.91 KMT2A (0.44) RAB9AROCK2ROCK1NPC1KMT2A
SCHEMBL5117252 0.87 SMN1; SMN2 (0.44) RAB9AROCK2ROCK1NPC1KMT2A
SCHEMBL13647298 0.77 NPC1 (0.33) RAB9AROCK2ROCK1NPC1KMT2A
SCHEMBL5123067 0.75 GLS (0.37) RAB9AROCK2ROCK1NPC1MAPK8
SCHEMBL13646992 0.75 NPC1 (0.47) RAB9AROCK2ROCK1NPC1KMT2A
SCHEMBL3835094 0.75 RAB9A (0.44) RAB9AROCK2ROCK1NPC1KMT2A
SCHEMBL4029613 0.73 ERCC1 (0.47) RAB9AROCK2ROCK1NPC1MAPK8
SCHEMBL6620879 0.72 ERCC1 (0.49) RAB9AROCK2ROCK1NPC1KMT2A
SCHEMBL5123410 0.72 KMT2A (0.48) RAB9ANPC1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-7232819-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA P. ANGELETTI S.P.A. (IT) 2007-06-19 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 US disclosed
EP-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP disclosed
US-6919368-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-07-19 US disclosed
US-6897234-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-24 US disclosed
US-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase ISTITUTO DI RICHERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2005-04-07 US disclosed
US-6780857-B2 FOR TREATMENT AND PREVENTION OF INFLAMMATORY DISEASES SUCH AS ASTHMA AND ALLERGIC DISEASES, AS WELL AS AUTOIMMUNE PATHOLOGIES SUCH AS RHEUMATOID ARTHRITIS AND ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-24 US disclosed
US-6525069-B1 Such as N-(t-butyl)-N'-(2-((3-(4-fluorophenyl)methyl)piperi -dinyl)methyl)cyclohexyl)urea; prevention of asthma and other allergic diseases BRISTOL-MYERS SQUIBB PHARMA CO. 2003-02-25 US disclosed
US-6492400-B1 SUCH AS N-(2,5-DIFLUOROPHENYL)-N'-(2-((4-(PHENYLMETHYL)-1 -PIPERIDINYL)METHYL)PHENYL)UREA; PREVENTION OF ASTHMA AND OTHER ALLERGIC DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-10 US disclosed
US-6486180-B1 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-26 US disclosed
US-6331541-B1 TREATING ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS AND INFLAMMATORY BOWEL DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 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 (2 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-20050075356-A1 Dihydroxypyrimidine carboxamide inhibitors of hiv integrase DUT, DPYD, TYMP RAB9A 3221/4885ROCK2 2561/4885ROCK1 2419/4885
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP RAB9A 3288/4885ROCK2 2438/4885ROCK1 2523/4885

“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.