SCHEMBL679189

SCHEMBL679189

Cn1c2ccccc2c2ccc(Cl)nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
PTGER4 P35408 1/20 0.44
KDM4E B2RXH2 4/20 0.43
NQO2 P16083 1/20 0.43
MAPT P10636 3/20 0.43
HCRTR1 O43613 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
GAA P10253 1/20 0.42
HKDC1 Q2TB90 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 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
SCHEMBL17109976 0.80 GPR3 (0.54) GPR3SMN1; SMN2KDM4ENQO2MAPT
SCHEMBL23373435 0.77 GPR3 (0.50) GPR3SMN1; SMN2KDM4EMAPTGAA
SCHEMBL16941578 0.77 MAT2A (0.40) SMN1; SMN2PTGER4KDM4EMAPTHCRTR1
SCHEMBL18546821 0.76 KDM4E (0.55) PTGER4KDM4EHKDC1L3MBTL1
SCHEMBL9968082 0.76 GPR3 (0.48) GPR3SMN1; SMN2KDM4EMAPTCASP1
SCHEMBL12652954 0.75 PTGER4 (0.64) GPR3SMN1; SMN2PTGER4KDM4ENQO2
SCHEMBL674752 0.72 PTGER4 (0.49) PTGER4KDM4EMAPTHCRTR1CASP1
SCHEMBL24299497 0.72 RXRA (0.50) GPR3SMN1; SMN2KDM4EMAPTGAA
SCHEMBL280139 0.72 GPR3 (0.58) GPR3SMN1; SMN2KDM4EMAPTGAA
SCHEMBL679421 0.71 L3MBTL1 (0.49) GPR3SMN1; SMN2KDM4EHCRTR1ALDH1A1

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 2 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

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 GPR3 1443/4885SMN1; SMN2 3499/4885PTGER4 3364/4885

“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.