SCHEMBL676476

SCHEMBL676476

C(=Cc1ccc2[nH]c3nc(C=Cc4ccccc4)ccc3c2c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.44
KDM4E B2RXH2 7/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
PKM P14618 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALK Q9UM73 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
RELA Q04206 1/20 0.40
GRM4 Q14833 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
GRM5 P41594 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL677979 0.87 CA5A (0.53) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL675247 0.87 CA5A (0.53) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL676243 0.87 RELA (0.47) KDM4ERAB9ANPC1ALKALDH1A1
SCHEMBL676306 0.85 MAPKAPK2 (0.38) IP6K1KDM4EALKSMN1; SMN2CYP3A4
SCHEMBL676307 0.85 MAPKAPK2 (0.38) IP6K1KDM4EALKSMN1; SMN2CYP3A4
SCHEMBL676823 0.84 KDM4E (0.44) IP6K1KDM4ERAB9ANPC1PKM
SCHEMBL679240 0.84 KDM4E (0.44) IP6K1KDM4ERAB9ANPC1PKM
SCHEMBL675412 0.84 NPC1 (0.47) KDM4ERAB9ANPC1PKMLMNA
SCHEMBL678867 0.81 IP6K1 (0.40) IP6K1KDM4ERAB9ANPC1PKM
SCHEMBL698441 0.81 IP6K1 (0.40) IP6K1KDM4ERAB9ANPC1PKM

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 IP6K1 3330/4885KDM4E 2789/4885RAB9A 2539/4885

“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.