SCHEMBL3663765

SCHEMBL3663765

Nc1cc(-c2cncc(Br)c2)cc(-c2ccccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.40
CCR5 P51681 3/20 0.40
CCR8 P51685 3/20 0.40
CYP2A6 P11509 2/20 0.40
GRM5 P41594 2/20 0.39
KDM4E B2RXH2 6/20 0.38
LMNA P02545 4/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
METAP1 P53582 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
DOHH Q9BU89 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
TP53 P04637 4/20 0.38
ALOX15 P16050 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL3663615 0.83 CCR1 (0.37) CCR1CCR5CCR8CYP2A6GRM5
SCHEMBL3664548 0.82 HRH1 (0.41) CCR1CCR5CCR8CYP2A6GRM5
SCHEMBL4183866 0.81 CYP2A6 (0.36) CCR1CCR5CCR8CYP2A6GRM5
SCHEMBL3664991 0.81 MDM2 (0.41) CCR1CCR5CCR8CYP2A6GRM5
SCHEMBL19054764 0.79 MEN1 (0.57) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL17022069 0.79 KDM4E (0.52) CCR1CCR5CCR8CYP2A6KDM4E
SCHEMBL2121006 0.79 CYP2A6 (0.56) CCR1CCR5CCR8CYP2A6GRM5
SCHEMBL3663869 0.79 GRM5 (0.36) CCR1CCR5CCR8CYP2A6GRM5
SCHEMBL3661769 0.78 KDM4E (0.37) CCR1CCR5CCR8CYP2A6GRM5
SCHEMBL3665505 0.78 ESR1 (0.37) CCR1CCR5CCR8CYP2A6GRM5

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
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK CCR1 293/4885CCR5 1737/4885CCR8 536/4885

“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.