SCHEMBL676129

SCHEMBL676129

COc1ccc(-c2ccnc3[nH]c4ccc(CCNC(=O)c5ccccc5)cc4c23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TRPV1 Q8NER1 2/20 0.49
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
ALK Q9UM73 5/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL674591 0.91 ALK (0.50) KMT2AMEN1SMN1; SMN2CDK4CCND1
SCHEMBL674590 0.86 KDM5B (0.44) KMT2AMEN1SMN1; SMN2ALKNPC1
SCHEMBL674926 0.83 TRPV1 (0.52) KMT2AMEN1ALDH1A1HPGDPPARG
SCHEMBL676518 0.81 ALK (0.48) KMT2AALDH1A1HPGDSMN1; SMN2ALK
SCHEMBL674656 0.81 MAPT (0.52) KMT2AMEN1ALDH1A1HPGDPPARG
SCHEMBL675879 0.81 KDM5B (0.48) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL676086 0.81 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL676173 0.81 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL684505 0.77 KMT2A (0.51) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL676355 0.76 ALK (0.55) KMT2AMEN1SMN1; SMN2ALKNPC1

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 KMT2A 492/4885MEN1 1324/4885ALDH1A1 749/4885

“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.