SCHEMBL3664993

SCHEMBL3664993

NCc1cc(-c2cncc(-c3cnoc3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.34
CCR5 P51681 3/20 0.34
CCR8 P51685 3/20 0.34
CYP2A6 P11509 1/20 0.34
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALPL P05186 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32

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 0.81 CCR1 (0.37) CCR1CCR5CCR8CYP2A6TP53
SCHEMBL3665665 0.78 CYP19A1 (0.42) LOXL2PRMT5WDR77GRM5CYP19A1
SCHEMBL3663471 0.77 MEN1 (0.41) SMN1; SMN2NPC1RAB9AKDM4EL3MBTL1
SCHEMBL3666895 0.77 NPC1 (0.47) SMN1; SMN2NPC1PKMRAB9ALMNA
SCHEMBL3662834 0.77 KDM4E (0.41) TP53SMN1; SMN2NPC1PKMRAB9A
SCHEMBL3662480 0.77 CYP11B1 (0.43) SMN1; SMN2NPC1PKMRAB9APRMT5
SCHEMBL3664279 0.75 LOXL2 (0.46) LOXL2PRMT5WDR77GPR39
SCHEMBL3727738 0.74 PIP4K2A (0.45)
SCHEMBL3664548 0.73 HRH1 (0.41) CCR1CCR5CCR8CYP2A6TP53
SCHEMBL4177155 0.73 HRH1 (0.36) LOXL2KDM4EGPR39GRM5

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.