SCHEMBL21965086

SCHEMBL21965086

Cc1ccccc1N1C[C@@H](C)N(C(C)C)[C@@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB1 P08588 1/20 0.43
AR P10275 3/20 0.39
SLC18A3 Q16572 1/20 0.38
LMNA P02545 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 4/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
AKR1C3 P42330 1/20 0.35
MGLL Q99685 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL21964852 0.84 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2ADRB1AR
SCHEMBL21448008 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMCOLN3MAPT
SCHEMBL20180492 0.78 MAPT (0.51) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL10353420 0.77 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2ADRB1AR
SCHEMBL22765470 0.77 BPTF (0.44) ALDH1A1SMN1; SMN2ADRB1LMNAMAPT
SCHEMBL3554355 0.76 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2ADRB1AR
SCHEMBL21964320 0.75 ACACB (0.38) MAPTAKR1C3
SCHEMBL16585816 0.73 ADRB1 (0.52) ALDH1A1HPGDSMN1; SMN2ADRB1AR
SCHEMBL14983590 0.73 ADRB1 (0.56) ALDH1A1HPGDSMN1; SMN2ADRB1AR
SCHEMBL18043600 0.73 ADRB1 (0.52) ALDH1A1HPGDSMN1; SMN2ADRB1AR

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 4 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-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2020-12-10 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 (4 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 ALDH1A1 1689/4885HPGD 1158/4885SMN1; SMN2 3438/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 ALDH1A1 1361/4885HPGD 2250/4885SMN1; SMN2 3418/4885
US-11345710-B2 Imidazo[1,2-b]pyrimido[4,5-d]pyridazin-5(6H)-ones and the use thereof WEE1, WEE2, CCNE1 ALDH1A1 1689/4885HPGD 1158/4885SMN1; SMN2 3438/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 ALDH1A1 1361/4885HPGD 2250/4885SMN1; SMN2 3418/4885

“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.