SCHEMBL21266992

SCHEMBL21266992

CC(C)c1ccc2c(c1)CN(CC(F)F)CC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.44
CARM1 Q86X55 3/20 0.43
ACACB O00763 3/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRMT5 O14744 4/20 0.38
WDR77 Q9BQA1 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KCNJ1 P48048 1/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL14027774 0.88 CARM1 (0.45) CARM1ACACBKMT2AMEN1KDM4E
SCHEMBL20883849 0.85 CARM1 (0.41) CARM1ACACBKMT2AMEN1KDM4E
SCHEMBL14102479 0.83 HRH3 (0.48) ASIC3CARM1ACACBKMT2AMEN1
SCHEMBL26032152 0.82 PRMT5 (0.46) ASIC3CARM1KMT2AMEN1PRMT5
SCHEMBL14027777 0.82 CARM1 (0.45) CARM1ACACBKMT2AMEN1PRMT5
SCHEMBL20910014 0.79 ALDH1A1 (0.44) CARM1ACACBKMT2AMEN1DRD2
SCHEMBL20884597 0.79 ASIC3 (0.44) ASIC3CARM1ACACBKMT2AKDM4E
SCHEMBL20883699 0.79 ACACB (0.43) CARM1ACACBKMT2AMEN1KDM4E
SCHEMBL20883986 0.79 DRD2 (0.40) CARM1ACACBKMT2AMEN1PRMT5
SCHEMBL20883929 0.78 HRH3 (0.46) ACACBDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 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 (3 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 ASIC3 4651/4885CARM1 1254/4885ACACB 2197/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 ASIC3 4670/4885CARM1 1096/4885ACACB 2690/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 ASIC3 4670/4885CARM1 1096/4885ACACB 2690/4885

“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.