SCHEMBL12798241

SCHEMBL12798241

[C-]#[N+]c1cc(F)cc(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.35
▸ PGR P06401 1/20 0.33

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
SCHEMBL12587111 0.84 TTR (0.36) —
SCHEMBL12551572 0.79 GRM5 (0.36) GRM5PGR
SCHEMBL12341956 0.79 — —
SCHEMBL12551392 0.77 GRM5 (0.38) GRM5PGR
SCHEMBL1421650 0.77 GRM5 (0.47) GRM5
SCHEMBL56741 0.77 GRM5 (0.43) GRM5
SCHEMBL12551645 0.75 GRM5 (0.39) GRM5PGR
SCHEMBL12399933 0.75 ALDH1A1 (0.38) GRM5PGR
SCHEMBL12246754 0.75 TTR (0.39) PGR
SCHEMBL10251503 0.75 TTR (0.39) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086763-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING ARYL- OR HETEROARYLNITRIL GROUPS FOR ORGANIC LIGHT EMITTING DIODES IDEMITSU KOSAN CO., LTD. (JP) 2018-03-29 — — US disclosed
US-20160211466-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-21 — — US disclosed
US-20160164000-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-09 — — US disclosed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 — — US disclosed
US-7906540-B2 Antivirals for HIV and AIDS; compounds are 2-1,2,4-triazolin-5-ones, substituted with aryl(oxy)methyl or benzylamino at position 3; use in combination with antivirals; treating drug resistance infections ROCHE PALO ALTO LLC (US) 2011-03-15 — — US disclosed
US-7807684-B2 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-10-05 — — US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 — — US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 — — US disclosed
US-20080293664-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-11-27 — — US disclosed
US-20080249151-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-10-09 — — US disclosed
US-20070021442-A1 HIV reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. 2007-01-25 — — US disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 — — 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 (6 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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 GRM5 2147/4885PGR 179/4885
US-20180086763-A1 BENZIMIDAZOLO[1,2-A]BENZIMIDAZOLE CARRYING ARYL- OR HETEROARYLNITRIL GROUPS FOR ORGANIC LIGHT EMITTING DIODES GABRE, TRPA1, TMBIM6 GRM5 1035/4885PGR 2015/4885
US-20160164000-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE DRD1, DRD2, AAAS GRM5 3214/4885PGR 3578/4885
US-20080293664-A1 Non-nucleoside reverse transcriptase inhibitors XDH, REV1, RTF1 GRM5 4392/4885PGR 2033/4885
US-20070021442-A1 HIV reverse transcriptase inhibitors POLRMT, RNGTT, POLR2E GRM5 3832/4885PGR 1550/4885
US-20080249151-A1 Non-nucleoside reverse transcriptase inhibitors QTRT1, RTF1, REV1 GRM5 4123/4885PGR 836/4885

“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.

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