SCHEMBL675723

SCHEMBL675723

CCCCC(N)c1cnc2[nH]c3ccc(-c4ccc(OC)cc4)cc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
GSK3A P49840 3/20 0.40
GSK3B P49841 3/20 0.40
CCNB3 Q8WWL7 3/20 0.40
ALK Q9UM73 2/20 0.40
CDK5 Q00535 2/20 0.40
CDK5R1 Q15078 2/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
ZAP70 P43403 1/20 0.40
PTK2B Q14289 1/20 0.40
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38

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
SCHEMBL677177 0.89 GABRA1 (0.37) GSK3AGSK3BALKCYP1A2EGFR
SCHEMBL677052 0.87 AHR (0.39) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL3423182 0.86 HRH3 (0.40) CHEK1SLC2A1KIT
SCHEMBL675883 0.83 RAB9A (0.41) ALKNPC1RAB9ACHEK1
SCHEMBL674938 0.80 ALK (0.38) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL675581 0.80 GABRA1 (0.42) GSK3BNPC1RAB9ASMN1; SMN2ROCK1
SCHEMBL676479 0.80 ALK (0.51) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL676787 0.79 PGR (0.41) ALK
SCHEMBL676023 0.79 CASP3 (0.52) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL676490 0.79 CHEK1 (0.54) CHEK1

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 CCNB2 1329/4885CDK1 1141/4885CCNB1 923/4885

“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.