SCHEMBL12833657

SCHEMBL12833657

CN1CC2(C1)CN(CCc1cccc(NC(=O)c3ccc4[nH]c(-c5cc(-c6cccnc6Cl)ccc5O)nc4c3)c1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.39
▸ DDR2 Q16832 1/20 0.38
▸ MAPT P10636 7/20 0.35
▸ TP53 P04637 3/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ TCF7L2 Q9NQB0 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ NR2E3 Q9Y5X4 1/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ HTR1D P28221 3/20 0.35
▸ HTR1B P28222 3/20 0.35

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
SCHEMBL12833667 0.85 ADORA2A (0.41) ADORA2AMAPTMEN1KMT2AKDM4E
SCHEMBL12833673 0.84 ABCB1 (0.43) ADORA2AHDAC6
SCHEMBL14531455 0.83 DDR2 (0.38) DDR2KDM4ECTNNB1TCF7L2GAA
SCHEMBL14089972 0.82 ADORA2A (0.39) ADORA2AMAPTMEN1KMT2AKDM4E
SCHEMBL14090234 0.80 HDAC6 (0.51) ADORA2ADDR2CTNNB1TCF7L2NR2E3
SCHEMBL1509481 0.79 ABCB1 (0.39) ADORA2ADDR2MAPTMEN1KMT2A
SCHEMBL12834518 0.77 ABCB1 (0.39) ADORA2ADDR2MAPTPOLBRECQL
SCHEMBL14090233 0.77 HDAC6 (0.58) DDR2NR2E3HDAC6
SCHEMBL12834288 0.76 RAB9A (0.45) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL14090429 0.76 DDR2 (0.46) ADORA2ADDR2MAPTMEN1KMT2A

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-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
EP-2298770-A1 Heterocyclic compounds as TrkA modulators ChemBridge Corporation (US) 2011-03-23 — — EP disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 ADORA2A 1261/4885DDR2 764/4885MAPT 3154/4885

“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.

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