SCHEMBL4490400

SCHEMBL4490400

COC(OC)c1ccnc(Nc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.54
MAPT P10636 3/20 0.54
PRKCD Q05655 2/20 0.54
CDK2 P24941 2/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.54
CHEK1 O14757 1/20 0.54
IKBKB O14920 1/20 0.54
PDPK1 O15530 1/20 0.54
CHEK2 O96017 1/20 0.54
PRKCG P05129 1/20 0.54
CDK1 P06493 1/20 0.54
LYN P07948 1/20 0.54
KIT P10721 1/20 0.54
PIM1 P11309 1/20 0.54
FGFR1 P11362 1/20 0.54
FGFR3 P22607 1/20 0.54
RPS6KB1 P23443 1/20 0.54
MARK3 P27448 1/20 0.54

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
SCHEMBL4920783 0.80 EGFR (0.66) AURKAMAPTNPC1RAB9ACDK1
SCHEMBL21797166 0.79 CDC7 (0.46) MAPTNPC1RAB9AATMMAPK8
SCHEMBL1800915 0.78 SMN1; SMN2 (0.43) AURKAMAPTNPC1MAPK1RAB9A
SCHEMBL12411162 0.76 MAPK8 (0.47) MAPTRAB9AABL1MAPK8KMT2A
SCHEMBL2280151 0.76 AURKA (0.59) AURKAMAPTPRKCDCDK2NPC1
SCHEMBL670174 0.74 AURKA (0.53) AURKAMAPTPRKCDCDK2NPC1
SCHEMBL4624975 0.73 NPC1 (0.65) AURKAMAPTPRKCDCDK2NPC1
SCHEMBL4661671 0.73 AURKA (0.51) AURKAMAPTPRKCDCDK2NPC1
SCHEMBL27759252 0.73 AURKA (0.51) AURKAMAPTPRKCDCDK2NPC1
SCHEMBL21797185 0.72 KMT2A (0.43) MAPTRAB9AMAPK8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116466000-A Method for rapidly determining 176 PPCPs content in source water 福建省产品质量检验研究院(福建省缺陷产品召回技术中心) 2023-07-21 CN disclosed
US-7579344-B2 Pyrimidine derivatives possessing cell-cycle inhibitors activity ASTRAZENECA AB (SE) 2009-08-25 US disclosed
US-7579344-B2 Pyrimidine derivatives possessing cell-cycle inhibitors activity ASTRAZENECA AB (SE) 2009-08-25 US disclosed
US-20060229329-A1 Pyrimidine derivatives possessing cell-cycle inhibitors activity ASTRAZENECA AB (SE) 2006-10-12 US disclosed
EP-1636227-A1 PYRIMIDINE DERIVATIVES POSSESSING CELL-CYCLE INHIBITORY ACTIVITY Astrazeneca AB (SE) 2006-03-22 EP disclosed
WO-2004101564-A1 PYRIMIDINE DERIVATIVES POSSESSING CELL-CYCLE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2004-11-25 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-20060229329-A1 Pyrimidine derivatives possessing cell-cycle inhibitors activity TYMP, CCNI, MKI67 AURKA 305/4885MAPT 4035/4885PRKCD 1821/4885

“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.