SCHEMBL698442

SCHEMBL698442

C=C(c1ccccc1)c1ccc2[nH]c3nc(Nc4ccccc4)ccc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.39
CHEK1 O14757 1/20 0.39
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALPG P10696 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FGFR1 P11362 1/20 0.36
HCAR3 P49019 1/20 0.35
CA5A P35218 1/20 0.34
EGFR P00533 2/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
CSNK2A1 P68400 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 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
SCHEMBL675373 0.86 PTK6 (0.49) KDRMAPTKDM4EKMT2A
SCHEMBL676477 0.82 KDR (0.41) KDRCHEK1MAPTKDM4EMEN1
SCHEMBL676824 0.81 KDM4E (0.42) KDRCHEK1KDM4EMEN1RAB9A
SCHEMBL675735 0.81 MAPT (0.43) MAPTKDM4EMEN1RAB9AKMT2A
SCHEMBL676067 0.77 CA5A (0.56) CHEK1MAPTKDM4EMEN1ALPG
SCHEMBL11860308 0.77 KDR (0.46) KDRCHEK1MAPTKDM4EMEN1
SCHEMBL678867 0.75 IP6K1 (0.40) KDRMAPTKDM4EMEN1ALPG
SCHEMBL698441 0.75 IP6K1 (0.40) KDRMAPTKDM4EMEN1ALPG
SCHEMBL3664375 0.71 MAP2 (0.43) KDRCHEK1KDM4EMEN1RAB9A
SCHEMBL676448 0.68 ALK (0.42) KDRCHEK1MEN1KMT2AEGFR

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 6 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP claimed
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 KDR 216/4885CHEK1 1744/4885MAPT 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.