SCHEMBL674727

SCHEMBL674727

Clc1ccc2c(n1)[nH]c1ccc(C#CC3CCCCC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 2/20 0.41
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PRKD1 Q15139 1/20 0.33
HAO1 Q9UJM8 2/20 0.32
ROCK2 O75116 1/20 0.32
BACE1 P56817 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRM5 P41594 1/20 0.32
PTGES O14684 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL3396582 0.94 PIKFYVE (0.38) PIKFYVEPDGFRBPDGFRANPC1MAPT
SCHEMBL676121 0.81 PIKFYVE (0.43) PIKFYVEPDGFRBPDGFRANPC1MAPT
SCHEMBL675083 0.78 ALK (0.45) PIKFYVEPDGFRBPDGFRANPC1MAPT
SCHEMBL676917 0.77 KDM4E (0.44) MAPTCYP1A2GRM5SIRT2
SCHEMBL675871 0.74 NPC1 (0.43) PIKFYVENPC1MAPTRAB9AFFAR1
SCHEMBL676829 0.73 CHRNB2 (0.36) PIKFYVENPC1MAPTRAB9AHAO1
SCHEMBL676267 0.71 TBK1 (0.36) PDGFRBPDGFRASIRT2
SCHEMBL675640 0.68 PIM3 (0.45) MAPTCYP1A2PTGESSIRT2
SCHEMBL676169 0.66 PAX8 (0.40) NPC1MAPTRAB9AFFAR1FFAR4
SCHEMBL3400154 0.66 BCHE (0.39) NPC1RAB9AROCK2PTGES

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 PIKFYVE 1894/4885PDGFRB 10/4885PDGFRA 11/4885

“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.