SCHEMBL16708470

SCHEMBL16708470

CC[C@H]1O[C@@H](c2ccc3c(NC(=O)c4ccccc4)ncnn23)[C@H](OCc2ccccc2)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TMPRSS2 O15393 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ RIPK1 Q13546 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL18371663 1.00 PTPN2 (0.37) PTPN2PTPN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL16708476 0.86 SMN1; SMN2 (0.35) SMN1; SMN2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL19101893 0.86 BCHE (0.40) PTPN2PTPN1TMPRSS2
SCHEMBL20755817 0.86 PTPN1 (0.37) PTPN2PTPN1SMN1; SMN2TMPRSS2HTT
SCHEMBL16708472 0.81 TMPRSS2 (0.42) SMN1; SMN2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL18371661 0.81 POLRMT (0.33) RIPK1
SCHEMBL16708471 0.81 POLRMT (0.33) RIPK1
SCHEMBL17131345 0.80 TSHR (0.31) RAB9AL3MBTL1TSHR
SCHEMBL16708478 0.79 TMPRSS2 (0.39) SMN1; SMN2CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL16708492 0.79 TMPRSS2 (0.41) SMN1; SMN2CYP1A2CYP3A4MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS GILEAD SCIENCES, INC. 2018-01-18 — — US disclosed
US-9388208-B2 Pyrrolo[1,2-f][1,2,4]triazines useful for treating respiratory syncitial virus infections GILEAD SCIENCES, INC. (US) 2016-07-12 — — US disclosed
US-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS ROSEMOUNT INC. 2015-05-14 — — 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-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 PTPN2 2318/4885PTPN1 1895/4885SMN1; SMN2 507/4885
US-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 PTPN2 2318/4885PTPN1 1895/4885SMN1; SMN2 507/4885

“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