SCHEMBL3091622

SCHEMBL3091622

Nc1cc(Cl)ccc1-c1ncco1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
NR4A2 P43354 2/20 0.42
SOS2 Q07890 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.39
PIN1 Q13526 1/20 0.38
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL28594488 0.82 GRM5 (0.47) TSHRALDH1A1ALOX15SMN1; SMN2TP53
SCHEMBL16423492 0.81 HSP90AA1 (0.42) CSNK1A1CSNK1DCSNK1ETSHRALDH1A1
SCHEMBL31258655 0.79 CSNK1A1 (0.39) CSNK1A1CSNK1DCSNK1ETSHRSMN1; SMN2
SCHEMBL28759013 0.79 CFTR (0.39) PIN1NPC1CFTR
SCHEMBL996798 0.79 KDM4E (0.41) ALDH1A1CYP3A4ALOX15SMN1; SMN2TDP1
SCHEMBL16506149 0.79 HSP90AA1 (0.41) CSNK1A1CSNK1DCSNK1ETSHRALDH1A1
SCHEMBL17479431 0.79 CSNK1A1 (0.39) CSNK1A1CSNK1DCSNK1ETSHRSMN1; SMN2
Potassium Ion SCHEMBL16506451 0.78 CSNK1A1 (0.38) CSNK1A1CSNK1DCSNK1ENR4A2SOS2
SCHEMBL16423394 0.78 CSNK1A1 (0.38) CSNK1A1CSNK1DCSNK1ENR4A2SOS2
Lithium Ion SCHEMBL16506148 0.78 CSNK1A1 (0.38) CSNK1A1CSNK1DCSNK1ENR4A2SOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
US-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. 2010-09-16 US disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
WO-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 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 (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-20100234364-A1 CCR2 INHIBITORS AND METHODS OF USE THEREOF CCR2, CCR9, CCR1 CSNK1A1 1542/4885CSNK1D 2126/4885CSNK1E 1427/4885

“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.