SCHEMBL21945926

SCHEMBL21945926

CC(C)C1=CCC(N)CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABBR1 Q9UBS5 3/20 0.31
PTPN1 P18031 1/20 0.31
PLAU P00749 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 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
SCHEMBL13370637 0.82
SCHEMBL14137618 0.78
SCHEMBL22454190 0.75
SCHEMBL20389664 0.75 HRH4 (0.33)
SCHEMBL14824769 0.75
SCHEMBL4582309 0.74 PTPN1 (0.32) PTPN1
SCHEMBL23767683 0.74
SCHEMBL13716524 0.74 ADRB2 (0.32)
SCHEMBL14530586 0.73 PTPN1 (0.31) PTPN1PDK1PDK2PDK3PDK4
SCHEMBL4953851 0.73 PTPN1 (0.31) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-01 US disclosed
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP disclosed
WO-2022261210-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-12-15 WO disclosed
US-10640500-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-05-05 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 (4 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-10640500-B2 Tetrahydropyrazolopyrimidine compounds SSB, TLR8, TLR9 GABBR1 2269/4885PTPN1 117/4885PLAU 2325/4885
US-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR GABBR1 1677/4885PTPN1 743/4885PLAU 1208/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS GABBR1 3043/4885PTPN1 529/4885PLAU 3682/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS GABBR1 3043/4885PTPN1 529/4885PLAU 3682/4885

“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.