SCHEMBL20755817

SCHEMBL20755817

O=C(Nc1ncnn2c([C@@H]3O[C@H](CCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc12)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.37
▸ PTPN2 P17706 1/20 0.37
▸ TMPRSS2 O15393 1/20 0.36
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ RET P07949 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ EHMT2 Q96KQ7 2/20 0.31
▸ EHMT1 Q9H9B1 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ BCHE P06276 1/20 0.31

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
SCHEMBL19101893 0.90 BCHE (0.40) PTPN1PTPN2TMPRSS2BCHECDC25B
SCHEMBL18371663 0.86 PTPN2 (0.37) PTPN1PTPN2TMPRSS2NPC1RAB9A
SCHEMBL16708470 0.86 PTPN2 (0.37) PTPN1PTPN2TMPRSS2NPC1RAB9A
SCHEMBL16710852 0.78 TMPRSS2 (0.35) TMPRSS2NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL16708473 0.76 TMPRSS2 (0.49) TMPRSS2TDP1ADORA3ADORA2AADORA1
SCHEMBL19343920 0.75 HTR1A (0.41) PTPN1PTPN2BCHECDC25B
SCHEMBL16708472 0.75 TMPRSS2 (0.42) TMPRSS2NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL24791786 0.75 TMPRSS2 (0.39) TMPRSS2NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL22570013 0.74 HTR1A (0.41) PTPN1PTPN2BCHECDC25B
SCHEMBL16708509 0.74 TMPRSS2 (0.41) TMPRSS2NPC1TDP1ADORA3

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-10377761-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2019-08-13 — — US disclosed
US-20190055253-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2019-02-21 — — 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 (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-10377761-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections SYNJ1, SARS1, SYNJ2 PTPN1 1895/4885PTPN2 2318/4885TMPRSS2 20/4885
US-20190055253-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 PTPN1 1895/4885PTPN2 2318/4885TMPRSS2 20/4885

“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.

Send feedback