SCHEMBL4105253

SCHEMBL4105253

COc1cccc2c(C)nc(NC(=N)N)nc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ADORA2B P29275 1/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAD52 P43351 1/20 0.39
PKM P14618 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL26173840 0.88 KDM4E (0.46) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL4104976 0.86 ADORA2B (0.59) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL2464364 0.83 KMT2A (0.52) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL27344419 0.76 EZH2 (0.46) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL30735950 0.76 EZH2 (0.46) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL7071371 0.76 KDM4E (0.42) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL9921194 0.76 KDM4E (0.48) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL31457433 0.74 SMN1; SMN2 (0.54) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL2330055 0.74 SMN1; SMN2 (0.54) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL1635171 0.73 KDM4E (0.54) KDM4EALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183187-A1 QUINAZOLINE COMPOUNDS AS INHIBITORS OF PREMATURE TERMINATION CODONS CENTRE NAT RECH SCIENT (FR) 2023-06-15 US disclosed
WO-2021228945-A1 QUINAZOLINE COMPOUNDS AS INHIBITORS OF PREMATURE TERMINATION CODONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-11-18 WO disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP 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 (5 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-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA KDM4E 308/4885ALDH1A1 1963/4885KMT2A 322/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KDM4E 251/4885ALDH1A1 1279/4885KMT2A 555/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KDM4E 419/4885ALDH1A1 1073/4885KMT2A 949/4885
US-20230183187-A1 QUINAZOLINE COMPOUNDS AS INHIBITORS OF PREMATURE TERMINATION CODONS UPF1, NUDT21, REV1 KDM4E 2993/4885ALDH1A1 4190/4885KMT2A 2885/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT KDM4E 1258/4885ALDH1A1 1610/4885KMT2A 665/4885

“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.