SCHEMBL21732983

SCHEMBL21732983

CN1CCN(C(=O)N2CN(C)CC2c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.50
▸ EPHX2 P34913 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ CHRM1 P11229 2/20 0.45
▸ P2RX7 Q99572 2/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ RIPK1 Q13546 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL5104857 0.77 HSP90AA1 (0.59) HSP90AA1EPHX2P2RX7TACR1NPC1
SCHEMBL16510056 0.76 POLB (0.60) HSP90AA1TSHRP2RX7TACR1NPC1
SCHEMBL14359179 0.75 HSP90AA1 (0.56) HSP90AA1P2RX7TACR1NPC1RAB9A
SCHEMBL13485746 0.74 HSP90AA1 (0.55) HSP90AA1TSHRP2RX7TACR1NPC1
SCHEMBL28848822 0.73 RIPK1 (0.64) HSP90AA1P2RX7TACR1NPC1RAB9A
SCHEMBL18390882 0.72 KCNH2 (0.62) TSHRNPC1RAB9APOLBCHRM3
SCHEMBL13485747 0.72 HSP90AA1 (0.54) HSP90AA1P2RX7TACR1NPC1RAB9A
SCHEMBL25694235 0.72 RIPK1 (0.67) RIPK1
SCHEMBL16268556 0.71 HSP90AA1 (0.53) HSP90AA1P2RX7TACR1NPC1RAB9A
SCHEMBL27906099 0.71 P2RX7 (0.66) HSP90AA1EPHX2TSHRCHRM1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 — — 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 (1 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-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HSP90AA1 4565/4885EPHX2 2422/4885TSHR 1588/4885

“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.

Send feedback