SCHEMBL674541

SCHEMBL674541

C=C(c1ccccc1)c1cnc2[nH]c3ccc(-c4ccc(CN5CCOCC5)cc4)cc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.57
ACHE P22303 12/20 0.57
JAK2 O60674 1/20 0.48
HDAC1 Q13547 1/20 0.44
CSF1R P07333 1/20 0.43
ALK Q9UM73 1/20 0.43

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
SCHEMBL676204 0.82 CHEK1 (0.67) CHEK1ACHEJAK2CSF1R
SCHEMBL678863 0.82 CHEK1 (0.59) CHEK1ACHEJAK2CSF1RALK
SCHEMBL674540 0.82 CHEK1 (0.59) CHEK1ACHEJAK2CSF1RALK
SCHEMBL675264 0.79 CHEK1 (0.56) CHEK1ACHEHDAC1
SCHEMBL676784 0.79 CHEK1 (0.48) CHEK1ACHECSF1RALK
SCHEMBL3733124 0.76 CHEK1 (0.58) CHEK1ACHEJAK2
SCHEMBL676195 0.76 ALK (0.48) ALK
SCHEMBL676491 0.75 CHEK1 (0.58) CHEK1ACHEJAK2CSF1R
SCHEMBL676490 0.74 CHEK1 (0.54) CHEK1ACHEJAK2CSF1R
SCHEMBL13572761 0.74 CHEK1 (0.75) CHEK1ACHEJAK2

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 CHEK1 1744/4885ACHE 2545/4885JAK2 201/4885

“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.