SCHEMBL10242704

SCHEMBL10242704

CC(=O)c1nn(-c2ccccc2)nc1C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.73
PKM P14618 2/20 0.73
LMNA P02545 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
ADORA2A P29274 1/20 0.73
ADORA2B P29275 1/20 0.73
ADORA1 P30542 1/20 0.73
KAT2B Q92831 1/20 0.73
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 1/20 0.51
HDAC1 Q13547 2/20 0.51
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL316035 0.87 KDM4E (0.75) KDM4EPKMLMNAADORA3ADORA2A
Hydrochloric Acid SCHEMBL19118816 0.86 KDM4E (0.73) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL193027 0.84 KDM4E (0.71) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL5010589 0.84 KDM4E (1.00) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL18962401 0.81 KDM4E (0.67) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL6312721 0.81 KDM4E (0.72) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL17277745 0.81 KDM4E (0.73) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL28972303 0.80 KDM4E (0.69) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL6263444 0.79 KDM4E (0.72) KDM4EPKMLMNAADORA3ADORA2A
SCHEMBL28972277 0.79 KDM4E (0.63) KDM4EPKMLMNAADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-4316815-A OPTICAL BRIGHTENERS FOR POLYAMIDES, CELLULOSICS SANDOZ LTD. (CH) 1982-02-23 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-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R KDM4E 622/4885PKM 956/4885LMNA 2905/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 KDM4E 3670/4885PKM 605/4885LMNA 1261/4885

“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.