SCHEMBL674242

SCHEMBL674242

O=[N+]([O-])c1ccccc1-c1ccc2[nH]c3ncc(Cl)cc3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP2 P11137 1/20 0.40
HCRTR1 O43613 1/20 0.40
PKM P14618 1/20 0.40
JAK2 O60674 1/20 0.40
CHEK1 O14757 2/20 0.39
PTGES O14684 1/20 0.39
WEE1 P30291 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL19022524 0.82 ALDH1A1 (0.56) ALDH1A1TDP1KMT2ACHEK1PTGES
SCHEMBL676124 0.81 GRIN2D (0.42) ALDH1A1TDP1KMT2APKMCHEK1
SCHEMBL674243 0.81 GABRA1 (0.47) ALDH1A1TDP1KMT2APKMGABRP
SCHEMBL675938 0.81 ALK (0.48) ALDH1A1TDP1KMT2APKMCHEK1
SCHEMBL19022533 0.79 KMT2A (0.56) ALDH1A1TDP1KMT2ACHEK1WEE1
SCHEMBL674677 0.78 ALK (0.50) ALDH1A1TDP1KMT2ACHEK1WEE1
SCHEMBL675109 0.78 PTPN1 (0.45) ALDH1A1TDP1KMT2ACHEK1PTGES
SCHEMBL13460985 0.77 JAK2 (0.52) ALDH1A1KMT2AMAP2JAK2CHEK1
SCHEMBL676235 0.77 JAK2 (0.52) ALDH1A1KMT2AMAP2JAK2CHEK1
SCHEMBL19021724 0.75 GABRA1 (0.49) ALDH1A1TDP1KMT2APKMCHEK1

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 ALDH1A1 749/4885TDP1 2082/4885KMT2A 492/4885

“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.