SCHEMBL13267812

SCHEMBL13267812

CCc1c(C#N)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ HTT P42858 2/20 0.49
▸ EGFR P00533 2/20 0.47
▸ SRC P12931 1/20 0.47
▸ HTR2A P28223 2/20 0.45
▸ HTR2C P28335 2/20 0.45
▸ PDE9A O76083 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GPR3 P46089 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41

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
SCHEMBL6532758 0.84 HTT (0.51) HTTMAPTKIF11CYP3A4ALDH1A1
SCHEMBL9285803 0.82 KDM4E (0.54) DRD2DRD4DRD3HTTEGFR
Water SCHEMBL11540986 0.79 HTT (0.53) DRD2HTTEGFRSRCHTR2A
SCHEMBL24243783 0.78 HTR2A (0.69) DRD2DRD4DRD3HTTEGFR
SCHEMBL3680016 0.77 AHR (0.55) DRD2DRD4DRD3HTTEGFR
SCHEMBL24243724 0.77 HTR2A (0.57) DRD2DRD4DRD3EGFRHTR2A
SCHEMBL6882102 0.76 HTT (0.55) DRD2HTTHTR2AHTR2CMAPT
SCHEMBL16297142 0.75 DRD2 (0.46) DRD2DRD4DRD3HTTEGFR
SCHEMBL31167422 0.75 DRD2 (0.46) DRD2DRD4DRD3HTTEGFR
SCHEMBL13246948 0.75 EGFR (0.64) DRD2DRD4DRD3EGFRSRC

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100183658-A1 Novel Compounds for Enhancing MHC Class II Therapies THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2010-07-22 — — 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-20100183658-A1 Novel Compounds for Enhancing MHC Class II Therapies HLA-DRB1, CD74, MICA DRD2 2548/4885DRD4 897/4885DRD3 2033/4885

“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.

Send feedback