SCHEMBL29318048

SCHEMBL29318048

Oc1cc(-n2cccn2)cc(-n2cccn2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
G6PD P11413 1/20 0.55
KMT2A Q03164 1/20 0.55
NOTUM Q6P988 1/20 0.48
MAPK1 P28482 2/20 0.44
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
PDK2 Q15119 1/20 0.39
KAT6A Q92794 9/20 0.38
TNIK Q9UKE5 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL30050149 0.87 NOTUM (0.55) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL29186519 0.87 NOTUM (0.55) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL526836 0.87 ALDH1A1 (0.47) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL29186555 0.82 KAT6A (0.52) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL29889724 0.82 KAT6A (0.52) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL18289088 0.82 ERCC1 (0.51) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL29368413 0.82 ERCC1 (0.51) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL30051516 0.79 KDM4E (0.40) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL29186531 0.79 KDM4E (0.40) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL14955783 0.78 NOTUM (0.48) KDM4EALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CHENGDU ANTICANCER BIOSCIENCE LTD (CN) 2024-07-18 US disclosed
US-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CHENGDU ANTICANCER BIOSCIENCE LTD (CN) 2024-07-18 US disclosed
EP-4330233-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2024-03-06 EP disclosed
CN-117321036-A phenyl-O-quinoline, quinazoline, thienopyridine, thienopyrimidine, pyrrolopyridine, pyrrolopyrimidine compounds having anticancer activity 成都安泰康赛生物科技有限公司 2023-12-29 CN disclosed
WO-2022228549-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2022-11-03 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-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, CPT1A, OAT KDM4E 4052/4885ALDH1A1 432/4885LMNA 1113/4885

“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.