SCHEMBL2802227

SCHEMBL2802227

c1ccc(CC2CCN(c3ncc4c(n3)CCc3cnc5[nH]ncc5c3-4)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
GRIN2B Q13224 9/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
GRIN1 Q05586 2/20 0.40
MAPT P10636 3/20 0.39
CCR3 P51677 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
AKT2 P31751 1/20 0.37
SCN9A Q15858 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL2803986 0.86 LMNA (0.57) TSHRLMNAHTTMAPTSMN1; SMN2
SCHEMBL2802930 0.81 HTR2A (0.37) TSHRLMNAHTTMAPTSMN1; SMN2
SCHEMBL2803930 0.79 ALDH1A1 (0.48) TSHRGRIN2BLMNAHTTGRIN1
SCHEMBL2802873 0.78 PIK3CA (0.45) TSHRMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL2805252 0.77 PIK3CD (0.37) AKT2ALDH1A1KMT2A
SCHEMBL2802641 0.77 MAPT (0.53) LMNAHTTMAPTALDH1A1
SCHEMBL2808293 0.77 MAPT (0.41) LMNAHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL2805678 0.73 RPS6KB1 (0.48) LMNAHTT
SCHEMBL2804807 0.71 SLC29A1 (0.42) LMNA
SCHEMBL2802884 0.68 CDK2 (0.47)

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 7 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
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 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 TSHR 4751/4885GRIN2B 2425/4885LMNA 1591/4885

“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.