SCHEMBL16708471

SCHEMBL16708471

CC[C@H]1O[C@@H](c2ccc3c(N)ncnn23)[C@H](OCc2ccccc2)[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ DOT1L Q8TEK3 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ TNK2 Q07912 2/20 0.32
▸ HSPA5 P11021 1/20 0.31
▸ RET P07949 1/20 0.31
▸ BCHE P06276 1/20 0.30
▸ AHCY P23526 1/20 0.30

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
SCHEMBL18371661 1.00 POLRMT (0.33) POLRMTRIPK1DOT1LPDE2ATNK2
SCHEMBL22434801 0.90 PDE2A (0.39) PDE2AHSPA5BCHE
SCHEMBL17131345 0.87 TSHR (0.31) —
SCHEMBL25495991 0.85 PDE2A (0.33) PDE2ATNK2HSPA5RETAHCY
SCHEMBL18510824 0.85 PDE2A (0.33) PDE2ATNK2HSPA5RETAHCY
SCHEMBL17131350 0.85 PDE2A (0.33) PDE2ATNK2HSPA5RETAHCY
SCHEMBL17106818 0.83 HTR1A (0.43) PDE2AHSPA5BCHE
SCHEMBL25598746 0.83 HTR1A (0.43) PDE2AHSPA5BCHE
SCHEMBL17106820 0.83 HTR1A (0.43) PDE2AHSPA5BCHE
SCHEMBL18371663 0.81 PTPN2 (0.37) RIPK1

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 6 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-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 — — US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — 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-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — 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 (4 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-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT POLRMT 7/4885RIPK1 4107/4885DOT1L 799/4885
US-20180016280-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 POLRMT 306/4885RIPK1 1457/4885DOT1L 882/4885
US-20150133395-A1 PYRROLO[1,2-f][1,2,4]TRIAZINES USEFUL FOR TREATING RESPIRATORY SYNCITIAL VIRUS INFECTIONS SYNJ1, SARS1, SYNJ2 POLRMT 306/4885RIPK1 1457/4885DOT1L 882/4885
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT POLRMT 7/4885RIPK1 4107/4885DOT1L 799/4885

“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