SCHEMBL7122790

SCHEMBL7122790

CCc1cc([N+](=O)[O-])ccc1NC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
CYP19A1 P11511 1/20 0.55
RORC P51449 1/20 0.55
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 4/20 0.49
EPHX1 P07099 1/20 0.48
PKM P14618 1/20 0.48
CYP1A2 P05177 1/20 0.48
GAA P10253 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL30168169 1.00 SMN1; SMN2 (0.59) SMN1; SMN2CYP19A1RORCMAPTNPSR1
SCHEMBL7121721 0.90 SMN1; SMN2 (0.55) SMN1; SMN2CYP19A1RORCMAPTNPSR1
SCHEMBL28639117 0.89 SMN1; SMN2 (0.54) SMN1; SMN2CYP19A1RORCMAPTNPSR1
SCHEMBL9445656 0.88 SMN1; SMN2 (0.63) SMN1; SMN2CYP19A1RORCHTTKMT2A
SCHEMBL29940631 0.87 CYP1A2 (0.56) SMN1; SMN2CYP19A1RORCMAPTNPSR1
SCHEMBL28639119 0.87 CYP19A1 (0.58) SMN1; SMN2CYP19A1RORCMAPTNPSR1
SCHEMBL9212980 0.87 SMN1; SMN2 (0.52) SMN1; SMN2CYP19A1RORCMAPTNPSR1
SCHEMBL11722866 0.84 SMN1; SMN2 (0.50) SMN1; SMN2CYP19A1RORCMAPTNPSR1
SCHEMBL9222183 0.84 SMN1; SMN2 (0.56) SMN1; SMN2CYP19A1RORCMAPTNPSR1
SCHEMBL29940373 0.84 SMN1; SMN2 (0.53) SMN1; SMN2CYP19A1MAPTNPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4161930-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 EP disclosed
CN-115667264-A Novel imidazo-pyrazine derivatives 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
WO-2021249893-A1 NOVEL IMIDAZO-PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 WO disclosed
US-9701691-B2 Thienopyrimidine compounds HOFFMAN-LA ROCHE INC. (US) 2017-07-11 US disclosed
EP-2802590-B1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
EP-2802590-A1 THIENOPYRIMIDINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2014-11-19 EP disclosed
CN-104159904-A Thienopyrimidine compounds HOFFMANN LA ROCHE 2014-11-19 CN disclosed
WO-2013104575-A1 THIENOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO 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 (3 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-20230141403-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES XDH, MYD88, IKZF3 SMN1; SMN2 2032/4885CYP19A1 2699/4885RORC 1103/4885
US-20130178460-A1 THIENOPYRIMIDINE COMPOUNDS SYK, BTK, LCK SMN1; SMN2 4369/4885CYP19A1 2083/4885RORC 325/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 SMN1; SMN2 4733/4885CYP19A1 19/4885RORC 31/4885

“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.