SCHEMBL23429684

SCHEMBL23429684

CC(C)(C)Cc1nccc2cc[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.35
REN P00797 2/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
BRD4 O60885 1/20 0.32
TAF1 P21675 1/20 0.32
BRPF1 P55201 1/20 0.32
CREBBP Q92793 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
NUDT1 P36639 2/20 0.32
AXL P30530 1/20 0.32
AHR P35869 1/20 0.32
ANO1 Q5XXA6 1/20 0.31
TNF P01375 1/20 0.30
RIPK1 Q13546 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
SCHEMBL13178567 0.80 REN (0.43) GRM5RENBRD4TAF1BRPF1
SCHEMBL13138498 0.73 GRM5 (0.38) GRM5NR3C1PGRNR3C2AR
SCHEMBL23429687 0.72 KDM4A (0.33)
SCHEMBL18237616 0.71 GRM5 (0.38) GRM5NR3C1PGRNR3C2AR
SCHEMBL21334960 0.70 MAPK1 (0.38)
SCHEMBL2633337 0.70 GRM5 (0.43) GRM5RENNR3C1PGRNR3C2
SCHEMBL21335058 0.69 CHRM4 (0.40) NUDT1
SCHEMBL1445573 0.68 HTR1D (0.43)
SCHEMBL4402791 0.68 AHR (0.46) NR3C1PGRNR3C2ARAHR
SCHEMBL11954969 0.68 CYP2A6 (0.50)

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-11566003-B2 Isoquinolines as inhibitors of HPK1 GENENTECH, INC. (US) 2023-01-31 US disclosed
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-06-03 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-11566003-B2 Isoquinolines as inhibitors of HPK1 HIPK1, HIPK2, IP6K1 GRM5 3654/4885REN 4054/4885NR3C1 2000/4885
US-20210163417-A1 ISOQUINOLINES AS INHIBITORS OF HPK1 HIPK1, HIPK2, IP6K1 GRM5 3654/4885REN 4054/4885NR3C1 2000/4885

“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.