SCHEMBL675732

SCHEMBL675732

CCCCCc1cc(N)c2c(n1)[nH]c1ccc(-c3ccc(-c4ccccc4)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
JAK2 O60674 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
ALK Q9UM73 3/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MCHR1 Q99705 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL676481 0.88 HRH2 (0.49) ALKGSK3AGSK3BEGFRKDR
SCHEMBL676276 0.85 MCHR1 (0.41) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL677070 0.84 CNR2 (0.42) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL3722217 0.82 GABRP (0.42) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL3722600 0.81 AGER (0.40)
SCHEMBL675459 0.81 JAK2 (0.52) TSHRJAK2ALKMCHR1TLR8
SCHEMBL677179 0.80 DHFR (0.42) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL676539 0.78 PARP1 (0.39) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL676202 0.77 TLR8 (0.48) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL3733722 0.77 ALK (0.48) ALK

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 KDM4E 2789/4885CYP1A2 1915/4885CYP3A4 3175/4885

“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.