SCHEMBL3004100

SCHEMBL3004100

CCOC(=O)c1cn(C2CC2)c2ccc(I)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
HPGD P15428 4/20 0.48
ADRB2 P07550 1/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
THRB P10828 1/20 0.46
GAPDH P04406 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
PTPN1 P18031 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL3005757 0.95 KDM4E (0.48) LMNAHPGDADRB2KMT2AMAPT
SCHEMBL2995842 0.93 HPGD (0.46) LMNAHPGDADRB2KMT2AMAPT
SCHEMBL2995832 0.93 HPGD (0.48) LMNAHPGDADRB2KMT2AMAPT
SCHEMBL3004714 0.90 LMNA (0.47) LMNAHPGDADRB2KMT2AMAPT
SCHEMBL13080528 0.89 HPGD (0.45) LMNAHPGDADRB2KMT2AMAPT
SCHEMBL13080525 0.89 LMNA (0.44) LMNAHPGDADRB2KMT2AMAPT
SCHEMBL13080496 0.89 LMNA (0.44) LMNAHPGDADRB2KMT2AMAPT
SCHEMBL13080488 0.89 HPGD (0.45) LMNAHPGDADRB2KMT2AMAPT
SCHEMBL13080490 0.88 HPGD (0.47) LMNAHPGDADRB2KMT2AMAPT
SCHEMBL13080497 0.87 LMNA (0.43) LMNAHPGDADRB2KMT2AMAPT

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US disclosed
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US disclosed
WO-2010142978-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-16 WO disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
WO-2009147433-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2009-12-10 WO disclosed
EP-1756135-B1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ZAGREB (HR) 2009-08-12 EP disclosed
EP-1756135-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-02-28 EP disclosed
EP-1628989-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-12-20 EP disclosed
WO-2006120541-A1 ETHER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2006-11-16 WO disclosed
US-20060258600-A1 14- or 15-Membered macrolides substituted at the 4'' position such as 4''-O-[2-(2-{2-[2-(3-Carboxy-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinolin-6-ylamino)-ethoxy]-ethoxy}-ethylamino)-ethyl]-azithromycin 11,12-cyclic carbonate; therapy or prophylaxis of systemic or topical microbial infections PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2006-11-16 US disclosed
EP-1628989-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2005108412-A1 ESTER LINKED MACROLIDES USEFUL FOR THE TREATMENT OF MICROBIAL INFECTIONS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (US) 2005-11-17 WO disclosed
WO-2004101587-A1 NOVEL 14 AND 15 MEMBERRED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 WO 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-20060258600-A1 14- or 15-Membered macrolides substituted at the 4'' position such as 4''-O-[2-(2-{2-[2-(3-Carboxy-7-chloro-1-cyclopropyl-4-oxo-1,4-dihydro-quinolin-6-ylamino)-ethoxy]-ethoxy}-ethylamino)-ethyl]-azithromycin 11,12-cyclic carbonate; therapy or prophylaxis of systemic or topical microbial infections IL17A, IL15, CASP14 LMNA 3341/4885HPGD 1966/4885ADRB2 4790/4885
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 LMNA 2498/4885HPGD 121/4885ADRB2 2173/4885
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 LMNA 2705/4885HPGD 137/4885ADRB2 2009/4885

“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.