SCHEMBL675466

SCHEMBL675466

C=C(c1ccccc1)c1ccc2c(c1)c1c(Cl)ccnc1n2S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 2/20 0.38
ENPP1 P22413 2/20 0.38
SRC P12931 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGDR2 Q9Y5Y4 6/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
PSEN1 P49768 1/20 0.33

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
SCHEMBL675269 0.90 HDAC3 (0.39) PTGDR2PPARGPPARDPPARAHTR6
SCHEMBL3671977 0.88 SRC (0.37) SRCCYP3A4CYP2C9CYP2C19PTGDR2
SCHEMBL675759 0.88 PTGDR2 (0.37) ENPP3ENPP1SRCCYP3A4CYP2C9
SCHEMBL675382 0.81 HTR6 (0.43) ENPP3ENPP1SRCCYP2C19PTGDR2
SCHEMBL3662668 0.81 HTR6 (0.42) ENPP3ENPP1SRCCYP2C19PTGDR2
SCHEMBL675485 0.81 SRC (0.41) SRCCYP3A4CYP2C9CYP2C19PTGDR2
SCHEMBL675913 0.80 SRC (0.40) SRCCYP3A4CYP2C9CYP2C19PTGDR2
SCHEMBL675896 0.80 SRC (0.40) ENPP3ENPP1SRCPTGDR2ALDH1A1
SCHEMBL3666055 0.79 HDAC3 (0.40) PTGDR2HTR6
SCHEMBL675465 0.78 IP6K1 (0.38) ENPP3ENPP1SRCCYP2C19PTGDR2

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 5 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
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 ENPP3 4850/4885ENPP1 4816/4885SRC 178/4885

“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.