SCHEMBL519666

SCHEMBL519666

O=C(O)c1cccc(Cl)c1.O=C(OO)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
NR4A2 P43354 2/20 0.51
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 2/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
GAA P10253 1/20 0.50
MRGPRX4 Q96LA9 3/20 0.49
MEN1 O00255 1/20 0.48
MITF O75030 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
MCL1 Q07820 1/20 0.48
ATM Q13315 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48

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
Benzoic Acid SCHEMBL27766381 0.95 PARP1 (0.55) PARP1NPC1RAB9ANR4A2KDM4E
Hydrogen Peroxide SCHEMBL8452315 0.94 PARP1 (0.62) PARP1NPC1RAB9AKDM4EKMT2A
SCHEMBL4370629 0.93 PARP1 (0.64) PARP1NPC1RAB9AKDM4EKMT2A
SCHEMBL1259 0.93 PARP1 (0.64) PARP1NPC1RAB9AKDM4EKMT2A
SCHEMBL29351761 0.93 PARP1 (0.64) PARP1NPC1RAB9AKDM4EKMT2A
SCHEMBL10664817 0.91 PARP1 (0.58) PARP1NPC1RAB9AKDM4EKMT2A
SCHEMBL11628321 0.91 PARP1 (0.58) PARP1NPC1RAB9AKDM4EKMT2A
Hydrochloric Acid SCHEMBL8503466 0.91 PARP1 (0.62) PARP1NPC1RAB9AKDM4EKMT2A
SCHEMBL11613703 0.91 PARP1 (0.62) PARP1NPC1RAB9AKDM4EKMT2A
SCHEMBL11105533 0.91 PARP1 (0.62) PARP1NPC1RAB9AKDM4EKMT2A

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
EP-3129372-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-12-16 EP disclosed
US-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-09-17 US disclosed
EP-3129372-A1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C Cancer Research Technology Limited (GB) 2017-02-15 EP disclosed
US-20160347756-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. 2016-12-01 US disclosed
EP-3004111-A1 PYRROLOTRIAZINES AS ALK INHIBITORS Cephalon, Inc. (US) 2016-04-13 EP disclosed
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C WINDTREE THERAPEUTICS, INC. 2015-10-01 US disclosed
WO-2015148597-A1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-10-01 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
WO-2014193932-A1 PYRROLOTRIAZINES AS ALK INHIBITORS CEPHALON, INC. (US) 2014-12-04 WO disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (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-10414763-B2 Azaquinazoline inhibitors of atypical protein kinase C PRKCQ, PRKCA, PRKCZ PARP1 1508/4885NPC1 2389/4885RAB9A 1084/4885
US-20150274720-A1 Azaquinazoline Inhibitors Of Atypical Protein Kinase C PRKCQ, PRKCA, PRKCZ PARP1 1508/4885NPC1 2389/4885RAB9A 1084/4885
US-20160347756-A1 PYRROLOTRIAZINES AS ALK INHIBITORS ALK, ACVR1, AGTR1 PARP1 1099/4885NPC1 2243/4885RAB9A 3379/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 PARP1 414/4885NPC1 3543/4885RAB9A 3888/4885

“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.