SCHEMBL676125

SCHEMBL676125

O=[N+]([O-])c1ccc(-c2ccc3[nH]c4nc(Cl)ccc4c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
MAPT P10636 3/20 0.44
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
MMP8 P22894 4/20 0.42
MMP13 P45452 3/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42

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
SCHEMBL675110 0.86 ADORA2A (0.45) ADORA2AADORA1MAPTMMP2MMP9
SCHEMBL675919 0.81 KDM4E (0.54) ADORA2AADORA1NPC1LMNAMEN1
SCHEMBL676124 0.81 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL674243 0.80 GABRA1 (0.47) MAPTMMP2MMP9MMP8MMP13
SCHEMBL3671601 0.76 ALK (0.46) MAPTNPC1RAB9AMEN1ALDH1A1
SCHEMBL675939 0.76 ALK (0.56) MAPTLMNAGABRA1GABRG2GABRB3
SCHEMBL679355 0.73 ADORA2A (0.57) ADORA2AADORA1MAPTLMNAMEN1
SCHEMBL674678 0.72 ALK (0.55) MEN1KMT2AIDO1ALKDYRK1A
SCHEMBL676819 0.72 ALDH1A1 (0.49) ADORA2AADORA1LMNAALDH1A1SMN1; SMN2
SCHEMBL675640 0.70 PIM3 (0.45) ADORA2AADORA1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 GRIN2D 4133/4885GRIN3B 3971/4885GRIN1 3167/4885

“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.