SCHEMBL4766375

SCHEMBL4766375

Clc1nc(-c2ccccn2)cc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.59
CCR5 P51681 3/20 0.59
CCR8 P51685 3/20 0.59
METAP1 P53582 2/20 0.54
ADORA3 P0DMS8 10/20 0.52
SLC2A1 P11166 1/20 0.51
KDM4E B2RXH2 5/20 0.50
LMNA P02545 4/20 0.50
HSP90AA1 P07900 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL1536634 0.79 CCR1 (0.47) CCR1CCR5CCR8METAP1ADORA3
SCHEMBL11361354 0.79 ADORA3 (0.52) CCR1CCR5CCR8METAP1ADORA3
SCHEMBL10389484 0.79 ADORA3 (0.55) CCR1CCR5CCR8METAP1ADORA3
SCHEMBL4771500 0.77 CCR1 (0.57) CCR1CCR5CCR8METAP1ADORA3
SCHEMBL11366802 0.76 ADORA3 (0.52) CCR1CCR5CCR8METAP1ADORA3
SCHEMBL11361377 0.76 CCR1 (0.53) CCR1CCR8ADORA3SLC2A1CYP1A2
SCHEMBL786133 0.76 MEN1 (0.55) ADORA3KDM4ELMNAHSP90AA1SMN1; SMN2
SCHEMBL31388225 0.76 MEN1 (0.55) ADORA3KDM4ELMNAHSP90AA1SMN1; SMN2
SCHEMBL22201436 0.75 PRKCH (0.52) KDM4ELMNACYP1A2SMN1; SMN2L3MBTL1
SCHEMBL6551807 0.75 KDM4E (0.54) CCR1CCR5CCR8METAP1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-9169282-B2 Metal complexes MERCK PATENT GMBH (DE) 2015-10-27 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284799-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
WO-2010086089-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-08-05 WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP disclosed
US-4269834-A Copper complexes of isoquinazolines NAUTA WIJBE T 1981-05-26 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 (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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 CCR1 2893/4885CCR5 2731/4885CCR8 4451/4885
US-20110284799-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 CCR1 2964/4885CCR5 1738/4885CCR8 2583/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 CCR1 2141/4885CCR5 2604/4885CCR8 4584/4885

“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.