SCHEMBL2016378

SCHEMBL2016378

Cc1cccc(-c2nc(C)cc(O)n2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.54
CCR8 P51685 1/20 0.54
TGFBR1 P36897 8/20 0.51
GRM5 P41594 2/20 0.40
CYP2A6 P11509 1/20 0.40
METAP2 P50579 1/20 0.40
IDH1 O75874 1/20 0.38
MAPK14 Q16539 2/20 0.38
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 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
SCHEMBL31127079 0.92 CCR1 (0.58) CCR1CCR8TGFBR1GRM5CYP2A6
SCHEMBL2241672 0.92 CCR1 (0.58) CCR1CCR8TGFBR1GRM5CYP2A6
SCHEMBL15470590 0.86 CCR1 (0.65) CCR1CCR8TGFBR1GRM5CYP2A6
SCHEMBL14733132 0.85 CCR1 (0.43) CCR1CCR8TGFBR1GRM5METAP2
SCHEMBL2014872 0.84 KMT2A (0.44) TGFBR1GRM5IDH1KMT2A
SCHEMBL9370182 0.83 MEN1 (0.52) KDM4EKMT2A
SCHEMBL8951931 0.83 CCR1 (0.47) CCR1CCR8TGFBR1GRM5CYP2A6
SCHEMBL9370139 0.80 KMO (0.47) GRM5METAP2KDM4E
SCHEMBL12497117 0.79 CCR1 (0.56) CCR1CCR8TGFBR1GRM5CYP2A6
SCHEMBL10370101 0.79 NOS1 (0.39) TGFBR1KDM4ENOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
WO-2012117021-A2 NOVEL MICROBIOCIDAL OXIME ETHERS SYNGENTA PARTICIPATIONS AG (CH) 2012-09-07 WO disclosed
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2011-06-16 US disclosed
EP-2066655-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2009-06-10 EP disclosed
WO-2008028935-A2 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2008-03-13 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 (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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CCR1 4630/4885CCR8 4740/4885TGFBR1 2969/4885
US-20110144140-A1 PYRIDINYL-PYRIMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATING AGENTS KCNJ2, KCNN2, KCNN1 CCR1 4720/4885CCR8 4640/4885TGFBR1 4245/4885

“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.