SCHEMBL2803286

SCHEMBL2803286

Cc1cc(N2CCc3c(cnc4[nH]ncc34)C2)nc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NUDT1 P36639 1/20 0.40
GRIN2D O15399 4/20 0.40
GRIN3B O60391 4/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2B Q13224 4/20 0.40
GRIN2C Q14957 4/20 0.40
GRIN3A Q8TCU5 4/20 0.40
HRH4 Q9H3N8 3/20 0.40
CHRM1 P11229 3/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
HRH3 Q9Y5N1 4/20 0.40
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
EHMT2 Q96KQ7 1/20 0.34

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
SCHEMBL2806633 0.82 RET (0.38) MAPTRETPI4KAXDHLRRK2
SCHEMBL12316009 0.81 HRH4 (0.42) HRH4MAPTRETPI4KAXDH
SCHEMBL2806079 0.80 AKT2 (0.39) HRH4MAPTRETPI4KAXDH
SCHEMBL2805375 0.79 RET (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2802522 0.74 HRH4 (0.34) SMN1; SMN2HRH4ADRA1AMAPTRET
SCHEMBL2804800 0.74 AKT2 (0.54) MAPTRETPI4KAXDHLRRK2
SCHEMBL12316002 0.73 PIK3CD (0.39) NUDT1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2803260 0.71 NUDT1 (0.35) NUDT1HRH4MAPTRETPI4KA
Hydrochloric Acid SCHEMBL2486185 0.71 LMNA (0.51) NUDT1MAPT
SCHEMBL5750425 0.70 GRIN2D (0.75) CRHBPCRHR2SMN1; SMN2NUDT1GRIN2D

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-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 CRHBP 4380/4885CRHR2 4403/4885SMN1; SMN2 1523/4885

“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.