SCHEMBL16611353

SCHEMBL16611353

COC(=O)c1cc2c(N3CCOCC3)nc(-c3cccc(COC(C)=O)c3)nn2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.45
PIK3CA P42336 16/20 0.45
MTOR P42345 5/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CD O00329 3/20 0.41
PIK3CG P48736 3/20 0.41
PIK3R1 P27986 1/20 0.41
AOC3 Q16853 1/20 0.40

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
SCHEMBL16727868 0.89 PRKDC (0.51) PRKDCPIK3CAMTORPIK3CDPIK3CG
SCHEMBL16611278 0.82 SMN1; SMN2 (0.39) PRKDCMRGPRX4
SCHEMBL16610955 0.79 PIK3CA (0.49) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL16622892 0.78 PIK3CA (0.56) PRKDCPIK3CAMTORPIK3CBPIK3CD
SCHEMBL16611006 0.77 PIK3CA (0.53) PRKDCPIK3CAMTORPIK3CBPIK3CD
SCHEMBL16611836 0.76 KMT2A (0.48) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL16611266 0.74 ELANE (0.38) PRKDC
SCHEMBL22287970 0.74 PIK3CA (0.68) PRKDCPIK3CAMTORPIK3CBPIK3CD
SCHEMBL16611197 0.72 PIK3CA (0.46) PIK3CAMTORPIK3CBPIK3CDPIK3CG
SCHEMBL16612093 0.72 PIK3CA (0.61) PIK3CAMTORPIK3CBPIK3CDPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857403-B1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-10-10 EP disclosed
US-9724352-B2 Pyrrolo[2,1-F[1,2,4]triazine compounds, preparation methods and applications thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-08 US disclosed
US-9724352-B2 Pyrrolo[2,1-F[1,2,4]triazine compounds, preparation methods and applications thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-08 US disclosed
US-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-05 US disclosed
US-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-01-05 US disclosed
US-9447101-B2 Pyrrolo[2,1-f][1,2,4]triazine compound, and preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-20 US disclosed
US-9447101-B2 Pyrrolo[2,1-f][1,2,4]triazine compound, and preparation method and application thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-20 US disclosed
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 US disclosed
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 US disclosed
EP-2857403-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-04-08 EP disclosed
EP-2857403-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-04-08 EP 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 (2 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-20170000800-A1 PYRROLO[2,1-F[1,2,4]TRIAZINE COMPOUNDS, PREPARATION METHODS AND APPLICATIONS THEREOF PIK3CA, PIP4K2B, PIK3R5 PRKDC 693/4885MRGPRX4 3300/4885PIK3CA 1/4885
US-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF PIK3CA, PIK3R5, PIP4K2B PRKDC 850/4885MRGPRX4 3215/4885PIK3CA 1/4885

“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.