SCHEMBL10985206

SCHEMBL10985206

O=c1[nH]nnc2cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.43
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TYMS P04818 3/20 0.39
KDM4E B2RXH2 1/20 0.37
PARP14 Q460N5 2/20 0.36
PGR P06401 3/20 0.36
JAK2 O60674 1/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
AR P10275 1/20 0.35
MAP2K4 P45985 1/20 0.34
CASP3 P42574 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
SCHEMBL30089426 1.00 DAO (0.43) DAOPARP1ALDH1A1LMNAPOLB
SCHEMBL874689 0.85 PARP1 (0.54) DAOPARP1ALDH1A1LMNAPOLB
SCHEMBL38658683 0.78 METAP2 (0.43) MAPTTYMSJAK2TNKSTNKS2
SCHEMBL10987574 0.78 METAP2 (0.43) MAPTTYMSJAK2TNKSTNKS2
SCHEMBL874742 0.78 PARP1 (0.54) PARP1ALDH1A1LMNAPOLBMAPT
SCHEMBL873653 0.78 ALDH1A1 (0.54) DAOPARP1ALDH1A1LMNAPOLB
SCHEMBL1843189 0.77 PARP1 (0.58) PARP1ALDH1A1MAPTKDM4ETNKS
SCHEMBL1844924 0.77 IP6K1 (0.33) PARP1
SCHEMBL28953289 0.74 PRMT5 (0.49) PARP1ALDH1A1MAPTKDM4EJAK2
SCHEMBL17950683 0.74 TYMS (0.40) ALDH1A1TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276352-B Nitrogen-containing heterocyclic compound with nematicidal activity and preparation method and application thereof 华东理工大学 2022-09-20 CN disclosed
CN-104530037-B Triazine heterocyclic compound with nematicidal activity and preparation method and application thereof 华东理工大学 2020-12-18 CN disclosed
WO-2016116058-A1 TRIAZINE HETEROCYCLIC COMPOUND WITH NEMATICIDAL ACTIVITY AND PREPARATION METHOD THEREFOR AND USAGE THEREOF 华东理工大学 2016-07-28 WO disclosed
EP-2780332-B1 MORPHOLINYLBENZOTRIAZINES FOR USE IN CANCER THERAPY MERCK PATENT GMBH (DE) 2016-02-24 EP disclosed
EP-2780332-B1 MORPHOLINYLBENZOTRIAZINES FOR USE IN CANCER THERAPY MERCK PATENT GMBH (DE) 2016-02-24 EP disclosed
US-9187469-B2 Morpholinylbenzotriazines for use in cancer therapy MERCK PATENT GMBH (DE) 2015-11-17 US disclosed
US-9187469-B2 Morpholinylbenzotriazines for use in cancer therapy MERCK PATENT GMBH (DE) 2015-11-17 US disclosed
US-9187469-B2 Morpholinylbenzotriazines for use in cancer therapy MERCK PATENT GMBH (DE) 2015-11-17 US disclosed
EP-2780332-A1 MORPHOLINYL BENZOTRIAZINE FOR USE IN CANCER THERAPY Merck Patent GmbH (DE) 2014-09-24 EP disclosed
US-20140275072-A1 MORPHOLINYLBENZOTRIAZINES FOR USE IN CANCER THERAPY MERCK PATENT GMBH (DE) 2014-09-18 US disclosed
US-20140275072-A1 MORPHOLINYLBENZOTRIAZINES FOR USE IN CANCER THERAPY MERCK PATENT GMBH (DE) 2014-09-18 US disclosed
US-20140275072-A1 MORPHOLINYLBENZOTRIAZINES FOR USE IN CANCER THERAPY MERCK PATENT GMBH (DE) 2014-09-18 US disclosed
WO-2013072015-A1 MORPHOLINYL BENZOTRIAZINE FOR USE IN CANCER THERAPY MERCK PATENT GMBH (DE) 2013-05-23 WO disclosed
WO-2013072015-A1 MORPHOLINYL BENZOTRIAZINE FOR USE IN CANCER THERAPY MERCK PATENT GMBH (DE) 2013-05-23 WO disclosed
US-4520023-A FUNGICIDES, BACTERICIDES, ALGICIDES, SLIMICIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-05-28 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 (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-20140275072-A1 MORPHOLINYLBENZOTRIAZINES FOR USE IN CANCER THERAPY TTBK1, TTBK2, SRMS DAO 2575/4885PARP1 2184/4885ALDH1A1 2708/4885

“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.