SCHEMBL21964320

SCHEMBL21964320

CCc1ccc(N2C[C@@H](C)N(C(C)C)[C@@H](C)C2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.38
ACACA Q13085 6/20 0.34
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
RAD52 P43351 1/20 0.32
GFER P55789 1/20 0.32
SRD5A1 P18405 1/20 0.31
BRD4 O60885 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL21964315 0.87 ACACB (0.37) ACACBACACAGAAMAPTRAD52
SCHEMBL21448008 0.82 ALDH1A1 (0.39) GAAMAPT
SCHEMBL20180492 0.79 MAPT (0.51) ACACBGAAMAPTRAD52GFER
SCHEMBL21965086 0.75 ALDH1A1 (0.46) MAPTAKR1C3
SCHEMBL21964913 0.74 MAPT (0.39) GAAMAPTBRD4
SCHEMBL21964316 0.71 HTR1B (0.43) ACACBACACAMAPTRAD52
SCHEMBL14554255 0.69 HTR1A (0.47) GAAMAPTRAD52GFERSRD5A1
SCHEMBL29310427 0.68 HTR3A (0.58)
SCHEMBL20180602 0.67 ALDH1A1 (0.42) GAAMAPT
SCHEMBL25678507 0.67 LMNA (0.38) ACACBGAAMAPTRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345710-B2 Imidazo[1,2-b]pyrimido[4,5-d]pyridazin-5(6H)-ones and the use thereof Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
US-20200131192-A1 IMIDAZO[1,2-b]PYRIMIDO[4,5-d]PYRIDAZIN-5(6H)-ONES AND THE USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2020-04-30 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 (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-20200131192-A1 IMIDAZO[1,2-b]PYRIMIDO[4,5-d]PYRIDAZIN-5(6H)-ONES AND THE USE THEREOF WEE1, WEE2, CCNE1 ACACB 3618/4885ACACA 4453/4885GAA 1782/4885
US-11345710-B2 Imidazo[1,2-b]pyrimido[4,5-d]pyridazin-5(6H)-ones and the use thereof WEE1, WEE2, CCNE1 ACACB 3618/4885ACACA 4453/4885GAA 1782/4885

“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.