SCHEMBL18390882

SCHEMBL18390882

CN1CCN(C(=O)N2CCC(c3ccccc3)C2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
RAB9A P51151 10/20 0.56
NPC1 O15118 8/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
TP53 P04637 4/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 5/20 0.56
ATM Q13315 1/20 0.53
HPGD P15428 1/20 0.53
CHRM3 P20309 2/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
STAT1 P42224 1/20 0.50

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
SCHEMBL27842786 0.89 RAB9A (0.67) KCNH2HRH3RAB9ANPC1SMN1; SMN2
SCHEMBL18390868 0.85 HRH3 (0.58) KCNH2HRH3RAB9ANPC1SMN1; SMN2
SCHEMBL20965459 0.85 KCNH2 (0.58) KCNH2HRH3RAB9ANPC1SMN1; SMN2
SCHEMBL18704935 0.85 HRH3 (0.87) KCNH2HRH3RAB9ANPC1SMN1; SMN2
SCHEMBL27888979 0.82 KCNH2 (0.73) KCNH2HRH3RAB9ANPC1SMN1; SMN2
SCHEMBL27878990 0.81 ALDH1A1 (0.62) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL1197270 0.80 RAB9A (0.63) KCNH2HRH3RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL27448507 0.80 HRH3 (0.66) KCNH2HRH3RAB9ANPC1SMN1; SMN2
SCHEMBL19493962 0.80 RAB9A (0.63) KCNH2HRH3RAB9ANPC1SMN1; SMN2
SCHEMBL3183837 0.79 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53ALDH1A1

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 7 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
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
US-20190127374-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2019-05-02 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
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2017-04-06 US disclosed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 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 (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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 KCNH2 3788/4885HRH3 1469/4885RAB9A 1205/4885
US-20170096425-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF KCNH2 4007/4885HRH3 1340/4885RAB9A 885/4885
US-20190127374-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF KCNH2 4007/4885HRH3 1340/4885RAB9A 885/4885

“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.