SCHEMBL20070184

SCHEMBL20070184

CN1CCC(O)(Cc2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 0.56
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PKLR P30613 1/20 0.43
GRIN2B Q13224 2/20 0.42
HRH4 Q9H3N8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
RET P07949 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HRH3 Q9Y5N1 2/20 0.40

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
SCHEMBL25502398 0.84 CYP46A1 (0.55) CYP46A1LMNAGAAPKLRGRIN2B
SCHEMBL20147400 0.84 CYP46A1 (0.50) CYP46A1LMNAGAAPKLRGRIN2B
SCHEMBL16051233 0.84 CYP46A1 (0.50) CYP46A1LMNAGAAPKLRGRIN2B
SCHEMBL27967306 0.82 CYP46A1 (0.63) CYP46A1LMNAGAAPKLRGRIN2B
SCHEMBL14840378 0.82 CYP46A1 (0.54) CYP46A1LMNAGAAPKLRGRIN2B
SCHEMBL20147914 0.81 CYP46A1 (0.48) CYP46A1LMNAGAAPKLRGRIN2B
SCHEMBL20070181 0.81 RET (0.41) CYP46A1LMNAGAAHRH4CYP1A2
SCHEMBL21940865 0.81 HRH4 (0.41) CYP46A1LMNAGAAHRH4CYP1A2
SCHEMBL25698977 0.79 HRH3 (0.41) CYP46A1LMNAGAAHRH4CYP1A2
Hydrochloric Acid SCHEMBL7842060 0.78 CCR1 (0.41) CYP46A1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
US-20190263811-A1 CRYSTALLINE FORMS ARRAY BIOPHARMA INC. 2019-08-29 US disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CYP46A1 3995/4885LMNA 2693/4885GAA 3356/4885
US-20190263811-A1 CRYSTALLINE FORMS RET, ALK, ROR1 CYP46A1 3708/4885LMNA 1646/4885GAA 2406/4885

“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.