SCHEMBL17859183

SCHEMBL17859183

Nc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Br)c(Cc3cc(F)cc(F)c3)cc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 1/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL3511654 0.82 NTRK1 (0.37) APP
SCHEMBL17859174 0.80 CYP2C9 (0.33) AKR1B1
SCHEMBL17848254 0.79 ALOX5 (0.31)
SCHEMBL17848125 0.79
SCHEMBL17848212 0.74 APP (0.35) APP
SCHEMBL17848247 0.72 INSR (0.52)
SCHEMBL17848185 0.71 PDGFRA (0.47) APPADORA2AADORA1
SCHEMBL3510535 0.69 CNR2 (0.34)
SCHEMBL591210 0.69 HTR6 (0.37)
SCHEMBL16620385 0.68 LTB4R (0.35) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336707-B2 Heterocyclic derivatives modulating activity of certain protein kinases EUDENDRON S.R.L. (IT) 2019-07-02 US disclosed
US-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES UNVERSITA' DEGLI STUDI DI MILANO (IT) 2018-05-03 US disclosed
US-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES UNVERSITA' DEGLI STUDI DI MILANO (IT) 2018-05-03 US disclosed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 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 (2 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-20180118691-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES MAP4K2, MAP3K20, MAPKAPK2 APP 696/4885ADORA2A 901/4885ADORA1 2231/4885
US-10336707-B2 Heterocyclic derivatives modulating activity of certain protein kinases MAP4K2, MAP3K20, MAPKAPK2 APP 696/4885ADORA2A 901/4885ADORA1 2231/4885

“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.