SCHEMBL4024634

SCHEMBL4024634

CC1CN(CC[O])CC(C)O1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
EBP Q15125 1/20 0.55
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDK1 Q15118 1/20 0.39
HTT P42858 3/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
BLM P54132 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL296970 1.00 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296048 1.00 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL296969 1.00 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL4023892 0.88 SIGMAR1 (0.64) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL4021409 0.86 SIGMAR1 (0.68) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL23254095 0.81 SIGMAR1 (0.55) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL10129057 0.78 SIGMAR1 (0.69) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL22858956 0.78 SIGMAR1 (0.69) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL9922437 0.78 SIGMAR1 (0.69) SIGMAR1EBPKDM4EALDH1A1TDP1
SCHEMBL10129761 0.78 SIGMAR1 (0.69) SIGMAR1EBPKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO claimed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO claimed
EP-1528925-B1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-04-22 EP claimed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US claimed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US claimed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP claimed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 WO claimed
WO-2023225359-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2023-11-23 WO disclosed
WO-2023161317-A1 5-[7-(3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBONYL)-1,2,3,4 TETRAHYDROISOQUINOLIN-6-Y L]-1H-PYRROLE-3-CARBOXAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2023-08-31 WO disclosed
US-7504408-B2 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 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 (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-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI SIGMAR1 360/4885EBP 3668/4885KDM4E 1320/4885

“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.