SCHEMBL676829

SCHEMBL676829

CCCC#Cc1ccc2[nH]c3nc(Cl)ccc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPT P10636 1/20 0.35
SNCA P37840 1/20 0.35
CYP2D6 P10635 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CYP2C19 P33261 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL676347 0.80 UTS2R (0.38) CHRNB2CHRNA4CYP2D6HRH3MEN1
SCHEMBL676917 0.79 KDM4E (0.44) MAPTSNCASIRT2KDM4EGMNN
SCHEMBL676456 0.77 UTS2R (0.45) CHRNB2CHRNA4CYP2D6HRH3UTS2R
SCHEMBL674727 0.73 PIKFYVE (0.41) MAPTSIRT2CYP1A2PIKFYVENPC1
SCHEMBL674810 0.72 HTR1A (0.42) CYP2D6LMNACYP1A2TSHRHIF1A
SCHEMBL675871 0.71 NPC1 (0.43) MAPTSNCASIRT2KDM4EGMNN
SCHEMBL675640 0.69 PIM3 (0.45) MAPTSIRT2KDM4EGMNNLMNA
SCHEMBL675115 0.69 CA5A (0.48) MAPTKDM4ELMNACYP1A2TSHR
SCHEMBL3396582 0.69 PIKFYVE (0.38) MAPTSNCAKDM4EGMNNLMNA
SCHEMBL17426189 0.68 GPR84 (0.37) MAPTCYP2D6HRH3KDM4ETSHR

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-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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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 CHRNB2 1602/4885CHRNA4 2045/4885MAPT 1494/4885

“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.