SCHEMBL2835973

SCHEMBL2835973

O=C(O)c1cnc2ccncc2c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM6B O15054 3/20 0.44
KDM4D Q6B0I6 3/20 0.44
KDM4A O75164 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
THRB P10828 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
SLC22A12 Q96S37 1/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LDHA P00338 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
ATIC P31939 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
SCHEMBL13544937 0.88 KDM4E (0.41) KDM4EMEN1MAPTKMT2ATDP1
SCHEMBL9874886 0.83 KMT2A (0.46) KDM4CKDM4EALDH1A1KDM4DMEN1
SCHEMBL15736461 0.81 DHODH (0.46) KDM4CKDM4EALDH1A1KDM6BKDM4D
SCHEMBL8413518 0.79 KDM4C (0.52) KDM4CKDM4EALDH1A1KDM6BKDM4D
SCHEMBL399518 0.79 HPGD (0.55) KDM4EALDH1A1THRBMEN1MAPT
SCHEMBL2839401 0.77 MEN1 (0.51) KDM4EALDH1A1L3MBTL1MEN1MAPT
Hydrochloric Acid SCHEMBL11089525 0.77 HPGD (0.53) KDM4EALDH1A1THRBMEN1MAPT
SCHEMBL10807704 0.76 SLC22A12 (0.37) KDM4CKDM4EALDH1A1KDM6BKDM4D
SCHEMBL1759098 0.74 LDHA (0.58) KDM4CKDM4EALDH1A1KDM6BKDM4D
SCHEMBL11656262 0.74 KDM4C (0.53) KDM4CKDM4EALDH1A1KDM6BKDM4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
US-8748612-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-10 US disclosed
CN-101821266-B Modulators of cystic fibrosis transmembrane channel regulators VERTEX PHARMA 2014-03-12 CN disclosed
EP-2201010-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2013-11-06 EP disclosed
EP-2201010-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2013-11-06 EP disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2013-07-11 US disclosed
US-8410132-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 US disclosed
CN-101821266-A Modulators of cystic fibrosis transmembrane channel regulators VERTEX PHARMA 2010-09-01 CN disclosed
EP-2201010-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2010-06-30 EP disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
WO-2009036412-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 WO disclosed
EP-1075478-B1 PHENYLUREA AND PHENYLTHIO UREA DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2003-04-16 EP disclosed
US-6372757-B1 OREXIN RECEPTORS FOR SLEEP DISORDERS AND EATING DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-16 US disclosed
EP-0115469-B1 PYRAZOLO(3,4-D)PYRIDIN-3-ONES CONDENSED WITH A HETEROCYCLE CIBA-GEIGY AG (CH) 1987-05-20 EP disclosed
EP-0115469-A1 Pyrazolo(3,4-d)pyridin-3-ones condensed with a heterocycle CIBA-GEIGY AG (CH) 1984-08-08 EP 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-20130178496-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 KDM4C 4553/4885KDM4E 4285/4885ALDH1A1 3001/4885
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, ABCB1, ABCC1 KDM4C 4553/4885KDM4E 4285/4885ALDH1A1 3001/4885

“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.