SCHEMBL15470591

SCHEMBL15470591

Cc1cccc(-c2ccnc(C)n2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.67
CCR8 P51685 2/20 0.67
CYP2A6 P11509 1/20 0.47
METAP2 P50579 1/20 0.47
KDM4E B2RXH2 4/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 1/20 0.40
ALPL P05186 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
CCR5 P51681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL9355962 0.84 KDM4E (0.53) CCR1CCR8CYP2A6KDM4ELMNA
Iodide SCHEMBL4384044 0.82 CCR1 (0.89) CCR1CCR8CYP2A6METAP2KDM4E
Hydrochloric Acid SCHEMBL2410509 0.82 CCR1 (0.89) CCR1CCR8CYP2A6METAP2KDM4E
SCHEMBL29388304 0.82 CCR1 (1.00) CCR1CCR8CYP2A6METAP2KDM4E
SCHEMBL196966 0.82 CCR1 (1.00) CCR1CCR8CYP2A6METAP2KDM4E
SCHEMBL30511194 0.82 CCR1 (1.00) CCR1CCR8CYP2A6METAP2KDM4E
SCHEMBL29751933 0.79 CCR1 (0.94) CCR1CCR8CYP2A6METAP2KDM4E
SCHEMBL29751919 0.79 CCR1 (0.94) CCR1CCR8CYP2A6METAP2KDM4E
SCHEMBL20557390 0.79 CCR1 (0.94) CCR1CCR8CYP2A6METAP2KDM4E
SCHEMBL3423401 0.79 CCR1 (0.94) CCR1CCR8CYP2A6METAP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 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 (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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 CCR1 202/4885CCR8 831/4885CYP2A6 1568/4885

“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.