SCHEMBL21730188

SCHEMBL21730188

CC(C)Cc1ccc2c(n1)CCN(C(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HRH3 Q9Y5N1 3/20 0.36
CDK4 P11802 2/20 0.35
CDK2 P24941 2/20 0.35
CDK6 Q00534 2/20 0.35
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
ASIC3 Q9UHC3 1/20 0.32
ATR Q13535 1/20 0.32
GRM5 P41594 2/20 0.31
TLR7 Q9NYK1 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL22993267 0.84 CYP2C19 (0.43) MAPTCDK4CDK2CDK6MEN1
SCHEMBL16624078 0.78 MAPT (0.40) MAPTSMN1; SMN2HRH3CDK4CDK2
SCHEMBL20203493 0.77 MAPT (0.38) MAPTSMN1; SMN2HRH3CDK4CDK2
SCHEMBL16624105 0.77 ASIC3 (0.39) MAPTSMN1; SMN2HRH3CDK4CDK2
SCHEMBL26866988 0.77 PIK3R1 (0.32) MAPTMCHR1
SCHEMBL26866987 0.77 PIK3R1 (0.34) MAPTMCHR1
SCHEMBL22723932 0.77 CYP3A4 (0.37) MAPTHRH3GRM5
SCHEMBL18806115 0.75 MAPT (0.36) MAPTSMN1; SMN2HRH3CDK4CDK2
SCHEMBL24253486 0.75 MAOA (0.40) HRH3
SCHEMBL16624106 0.75 PDCD1 (0.41) MAPTSMN1; SMN2HRH3CDK4CDK2

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-20200179511-A1 BCMA-TARGETING AGENT, AND COMBINATION THERAPY WITH A GAMMA SECRETASE INHIBITOR NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2020-06-11 US disclosed
US-20200055948-A1 CELLS EXPRESSING A BCMA-TARGETING CHIMERIC ANTIGEN RECEPTOR, AND COMBINATION THERAPY WITH A GAMMA SECRETASE INHIBITOR NOVARTIS AG (CH) 2020-02-20 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 (2 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-20200055948-A1 CELLS EXPRESSING A BCMA-TARGETING CHIMERIC ANTIGEN RECEPTOR, AND COMBINATION THERAPY WITH A GAMMA SECRETASE INHIBITOR BACE1, BACE2, GSAP MAPT 1286/4885SMN1; SMN2 2609/4885HRH3 3104/4885
US-20200179511-A1 BCMA-TARGETING AGENT, AND COMBINATION THERAPY WITH A GAMMA SECRETASE INHIBITOR BACE1, BACE2, GSAP MAPT 545/4885SMN1; SMN2 2905/4885HRH3 2211/4885

“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.