SCHEMBL16731004

SCHEMBL16731004

COC(=O)c1cc2c(=O)[nH]c(-c3ccc(NC(=O)C(C)(C)C)cc3C(F)(F)F)nn2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 13/20 0.37
S1PR3 Q99500 11/20 0.36
LCK P06239 1/20 0.35
CTSL P07711 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
CTSS P25774 1/20 0.35
PTPN13 Q12923 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
AR P10275 2/20 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
SCHEMBL16727853 0.87 S1PR1 (0.38) S1PR1S1PR3LCKCTSLPTPRC
SCHEMBL16611005 0.85 S1PR1 (0.36) S1PR1S1PR3KDRKDM4E
SCHEMBL23140215 0.78 PIK3CA (0.42) S1PR1S1PR3
SCHEMBL24599204 0.74 KDM4A (0.42) KDM4EHSD17B10MAPT
SCHEMBL24599202 0.74 MAPK14 (0.41) SMN1; SMN2KDM4EHSD17B10MAPT
SCHEMBL16727857 0.72 S1PR1 (0.38) S1PR1S1PR3KDRSMN1; SMN2
SCHEMBL23361516 0.69 POLB (0.43) KDRSMN1; SMN2KDM4EMAPT
SCHEMBL18373112 0.69 PIK3CA (0.42) S1PR1S1PR3KDRSMN1; SMN2KDM4E
SCHEMBL22006148 0.68 S1PR1 (0.37) S1PR1S1PR3KDRKDM4E
SCHEMBL24599203 0.68 KDR (0.41) KDRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20150141644-A1 PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF PIK3CA, PIK3R5, PIP4K2B S1PR1 586/4885S1PR3 704/4885LCK 522/4885

“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.