SCHEMBL30210658

SCHEMBL30210658

CC1(C(N)=O)CC1c1cn[nH]c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.34
NOS2 P35228 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
CFTR P13569 1/20 0.31
ADORA2B P29275 2/20 0.31
ADORA1 P30542 2/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL30672641 0.77 HSD11B1 (0.31) HSD11B1
SCHEMBL15541944 0.73 KDM1A (0.55) KDM1AMAOA
SCHEMBL15542258 0.73 KDM1A (0.55) KDM1AMAOA
SCHEMBL6623618 0.73 KDM1A (0.55) KDM1AMAOA
SCHEMBL2227972 0.71 KDM1A (0.36) KDM1AMAOA
SCHEMBL27580178 0.71 HSD11B1 (0.40) HSD11B1ADORA2BADORA1
SCHEMBL28530963 0.71 ADAM17 (0.42) KDM1AMAOA
SCHEMBL20519369 0.71 ADORA2B (0.33) HSD11B1NOS2ADORA2BADORA1
SCHEMBL5907270 0.70 HSD11B1 (0.37) HSD11B1
SCHEMBL31180426 0.70 KCNH2 (0.33) KCNH2

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-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 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-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 HSD11B1 2158/4885NOS2 2634/4885KDM1A 1398/4885

“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.