SCHEMBL23351981

SCHEMBL23351981

CN1CCCC(CC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.46
ACHE P22303 2/20 0.35
HRH3 Q9Y5N1 4/20 0.34
SIGMAR1 Q99720 2/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
F2R P25116 1/20 0.32
CHRM2 P08172 2/20 0.32
ADRA2A P08913 2/20 0.32
CHRM1 P11229 2/20 0.32
DRD1 P21728 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
ADRA1A P35348 2/20 0.32

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
SCHEMBL8740002 0.91 NCF1 (0.54) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL12369696 0.84 CHRM2 (0.39) NCF1HRH3SIGMAR1CHRM2ADRA2A
SCHEMBL12449638 0.84 CHRM2 (0.39) NCF1HRH3SIGMAR1CHRM2ADRA2A
SCHEMBL12449636 0.84 CHRM2 (0.39) NCF1HRH3SIGMAR1CHRM2ADRA2A
SCHEMBL25096216 0.83 NCF1 (0.43) NCF1ACHEHRH3SIGMAR1GNAI3
SCHEMBL27258324 0.83 NCF1 (0.39) NCF1ACHEHRH3HRH4SMN1; SMN2
SCHEMBL19421180 0.79 NCF1 (0.46) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL19421177 0.79 NCF1 (0.46) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL2612731 0.79 NCF1 (0.46) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL25809268 0.78 NCF1 (0.46) NCF1ACHEHRH3SIGMAR1GNAI3

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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-20230070613-A1 PROTEIN TYROSINE KINASE 6 (PTK6) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-03-09 US disclosed
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2021-05-13 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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 NCF1 1735/4885ACHE 3064/4885HRH3 2418/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP NCF1 2086/4885ACHE 2699/4885HRH3 2041/4885
US-20230070613-A1 PROTEIN TYROSINE KINASE 6 (PTK6) DEGRADATION / DISRUPTION COMPOUNDS AND METHODS OF USE PTK6, NEK6, GRK6 NCF1 1399/4885ACHE 4790/4885HRH3 3147/4885

“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.