SCHEMBL678729

SCHEMBL678729

Cn1c2ccccc2c2cc(Cl)cnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.50
GPR3 P46089 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HCRTR1 O43613 1/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGER4 P35408 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 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
SCHEMBL16625722 0.81 GPR3 (0.50) PDE10AGPR3KDM4ELMNAMEN1
SCHEMBL18338087 0.78 L3MBTL1 (0.52) KDM4EMAPTHPGDHTTHSD17B10
SCHEMBL678784 0.75 GRM5 (0.55) PDE10AGPR3HCRTR1MEN1KMT2A
SCHEMBL676791 0.74 PTGER4 (0.49) PDE10AKDM4EMAPTCASP1CASP7
SCHEMBL30812980 0.73 KDM4E (0.48) PDE10AKDM4EHCRTR1MAPTCASP1
SCHEMBL280139 0.73 GPR3 (0.58) PDE10AGPR3KDM4EMAPTHPGD
SCHEMBL1921474 0.73 GPR3 (0.64) GPR3KDM4EHCRTR1MAPTCASP1
SCHEMBL1609982 0.72 GPR3 (0.52) PDE10AGPR3LMNAL3MBTL1GABRP
SCHEMBL18381782 0.72 GPR3 (0.56) PDE10AGPR3KDM4EMAPTHPGD
SCHEMBL11901312 0.69 GPR3 (0.64) GPR3KDM4EHCRTR1MAPTCASP1

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 PDE10A 1879/4885GPR3 1443/4885KDM4E 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.