SCHEMBL20547006

SCHEMBL20547006

CCOc1cc(F)cc2nc[nH]c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.42
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
PDPK1 O15530 2/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
CHEK1 O14757 1/20 0.36
PIM1 P11309 1/20 0.36
RPS6KA3 P51812 1/20 0.36
POLB P06746 1/20 0.34
CDK2 P24941 1/20 0.34
MAPT P10636 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
SCHEMBL30353905 1.00 PARP1 (0.42) PARP1NPC1RAB9AHTTESR2
SCHEMBL15710544 0.85 PARP1 (0.44) PARP1NPC1RAB9AKDM4EPDPK1
SCHEMBL30353912 0.85 PARP1 (0.44) PARP1NPC1RAB9AKDM4EPDPK1
SCHEMBL16747757 0.85 KDM4E (0.39) PARP1NPC1RAB9AHTTKDM4E
SCHEMBL30353899 0.84 NPC1 (0.44) PARP1NPC1RAB9AHTTESR2
SCHEMBL3187133 0.84 NPC1 (0.44) PARP1NPC1RAB9AHTTESR2
Hydrochloric Acid SCHEMBL28100847 0.84 PARP1 (0.43) PARP1NPC1RAB9AKDM4EPDPK1
SCHEMBL31204526 0.82 HTT (0.42) PARP1NPC1RAB9AHTTESR2
SCHEMBL6910259 0.81 NPC1 (0.41) PARP1NPC1RAB9AHTTESR2
SCHEMBL3203285 0.81 PARP1 (0.41) PARP1RAB9AKDM4EPDPK1IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110573505-B C 5 -anilinoquinazoline compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2023-04-11 CN disclosed
EP-3615522-B1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2021-08-04 EP disclosed
US-10829479-B2 C5-anilinoquinazoline compounds and their use in treating cancer ASTRAZENECA AB (SE) 2020-11-10 US disclosed
EP-3615522-A1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca (SE) 2020-03-04 EP disclosed
CN-110573505-A C5-anilinoquinazoline compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2019-12-13 CN disclosed
US-20190263787-A1 C5-anilinoquinazoline Compounds and Their Use in Treating Cancer ASTRAZENECA AB (SE) 2019-08-29 US disclosed
US-10273227-B2 C5-anilinoquinazoline compounds and their use in treating cancer ASTRAZENECA AB (SE) 2019-04-30 US disclosed
WO-2018197642-A1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-11-01 WO disclosed
US-20180312490-A1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2018-11-01 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-20190263787-A1 C5-anilinoquinazoline Compounds and Their Use in Treating Cancer KIT, C5, C9 PARP1 158/4885NPC1 1576/4885RAB9A 617/4885
US-20180312490-A1 C5-ANILINOQUINAZOLINE COMPOUNDS AND THEIR USE IN TREATING CANCER KIT, C5, C9 PARP1 158/4885NPC1 1576/4885RAB9A 617/4885
US-10829479-B2 C5-anilinoquinazoline compounds and their use in treating cancer KIT, C5, C9 PARP1 158/4885NPC1 1576/4885RAB9A 617/4885
US-10273227-B2 C5-anilinoquinazoline compounds and their use in treating cancer KIT, C5, C9 PARP1 158/4885NPC1 1576/4885RAB9A 617/4885

“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.