SCHEMBL3697693

SCHEMBL3697693

CCn1cc(C(=O)O)c(=O)c2cc(Br)cnc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ABCC4 O15439 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
CASP1 P29466 1/20 0.53
CYP2C9 P11712 2/20 0.48
ATP6V1B2 P21281 1/20 0.48
TBXA2R P21731 1/20 0.48
EDNRA P25101 1/20 0.48
TARBP2 Q15633 1/20 0.48
TSHR P16473 3/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 7/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 2/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL8195106 0.85 LMNA (0.55) LMNAMEN1KMT2AABCC4PKM
SCHEMBL3696586 0.85 LMNA (0.64) LMNAMEN1KMT2ATSHRKDM4E
SCHEMBL20240664 0.84 LMNA (0.39) LMNAMEN1KMT2AABCC4PKM
SCHEMBL20240766 0.84 GSK3B (0.47) LMNAMEN1KMT2AABCC4PKM
SCHEMBL21815683 0.82 HSD17B10 (0.42) LMNAMEN1KMT2AABCC4PKM
SCHEMBL3693908 0.82 LMNA (0.52) LMNAMEN1KMT2ACYP2C9TSHR
SCHEMBL3702513 0.81 LMNA (0.50) LMNAMEN1KMT2ACYP2C9TSHR
SCHEMBL20257884 0.81 LMNA (0.36) LMNAMEN1KMT2AABCC4PKM
SCHEMBL27952590 0.80 LMNA (0.50) LMNAMEN1KMT2AABCC4PKM
SCHEMBL3695215 0.80 LMNA (0.40) LMNAMEN1KMT2AABCC4PKM

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-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 US disclosed
CN-102448962-A Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB 2012-05-09 CN disclosed
WO-2010136817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-02 WO disclosed
WO-2010136817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-02 WO disclosed
US-3963736-A Preparation of 1-(lower alkyl)-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-15 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 (1 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-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 LMNA 2498/4885MEN1 1874/4885KMT2A 3503/4885

“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.