SCHEMBL674809

SCHEMBL674809

O=C(NCCc1ccc2[nH]c3ncc(-c4ccc(-c5ccccc5)cc4)cc3c2c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.48
SNCA P37840 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
CDK8 P49336 1/20 0.44
CHEK1 O14757 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
F10 P00742 1/20 0.43
ESRRG P62508 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL674808 0.92 SNCA (0.42) HIF1ASNCAMEN1KMT2ACDK4
SCHEMBL674926 0.92 TRPV1 (0.52) MEN1KMT2ACDK4CCND1TRPV1
SCHEMBL676187 0.88 ALDH1A1 (0.54) SNCAMEN1KMT2ACDK8MAPK1
SCHEMBL676908 0.87 CNR1 (0.52) SNCAMEN1KMT2ARXFP1NPC1
SCHEMBL675264 0.87 CHEK1 (0.56) KMT2ACHEK1NPC1RAB9ASMN1; SMN2
SCHEMBL675639 0.86 ALDH1A1 (0.46) SNCAMEN1KMT2AMAPK3MAPK1
SCHEMBL676327 0.84 GSK3B (0.43) MEN1KMT2AMAPK3MAPK1ESRRG
SCHEMBL676326 0.84 GSK3B (0.43) MEN1KMT2AMAPK3MAPK1ESRRG
SCHEMBL684505 0.83 KMT2A (0.51) MEN1KMT2AMAPK3MAPK1ESRRG
SCHEMBL676446 0.82 MEN1 (0.45) HIF1ASNCAMEN1KMT2ARXFP1

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 HIF1A 1877/4885SNCA 1095/4885MEN1 1324/4885

“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.