SCHEMBL677179

SCHEMBL677179

CCCCCc1nc2[nH]c3ccc(-c4ccc(-c5ccccc5)cc4)cc3c2cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.42
JAK2 O60674 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CNR2 P34972 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36

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
SCHEMBL675725 0.88 CCNB2 (0.42) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL676789 0.85 PGR (0.40) MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL676202 0.84 TLR8 (0.48) DHFRJAK2KDM4ECYP1A2CYP3A4
SCHEMBL675583 0.84 CNR2 (0.42) KDM4ECNR2SMN1; SMN2GABRA1GABRG2
SCHEMBL676563 0.84 MAPKAPK2 (0.38) DHFRKDM4ECYP1A2CYP3A4TSHR
SCHEMBL3423187 0.81 AGER (0.41)
SCHEMBL676492 0.81 JAK2 (0.52) JAK2TSHRMEN1NPC1RAB9A
SCHEMBL3722217 0.80 GABRP (0.42) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL675732 0.80 KDM4E (0.43) DHFRJAK2KDM4ECYP1A2CYP3A4
SCHEMBL3729596 0.77 CTSV (0.42) GSK3AGSK3BCTSVCTSLMMP2

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 DHFR 2059/4885JAK2 201/4885KDM4E 2789/4885

“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.