SCHEMBL9282256

SCHEMBL9282256

N=C(Cc1ccccc1F)NO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
LMNA P02545 4/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.40
IDO1 P14902 2/20 0.39
MAPK1 P28482 2/20 0.39
MPO P05164 2/20 0.39
CXCL8 P10145 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK8 P45983 1/20 0.38
PPIA P62937 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL837843 0.78 BACE1 (0.39) TAAR1RAB9AKMT2AMEN1MAPK8
SCHEMBL836280 0.77 MAPK8 (0.40) KMT2AMPOMEN1MAPK8SMN1; SMN2
SCHEMBL28923083 0.76 LMNA (0.55) LMNARAB9AKMT2AALDH1A1MAPK1
SCHEMBL641851 0.76 PKM (0.50) TAAR1LMNARAB9AKMT2AALDH1A1
SCHEMBL5259490 0.76 CTBP2 (0.43) TAAR1KMT2AALDH1A1MEN1MAPK8
SCHEMBL10397132 0.76 PYCR1 (0.40) LMNAKMT2AMEN1NPC1
SCHEMBL1520469 0.75 TAAR1 (0.50) TAAR1LMNARAB9AALDH1A1IDO1
SCHEMBL835822 0.74 P2RX7 (0.38) TAAR1LMNARAB9AKMT2AALDH1A1
SCHEMBL19980269 0.74 MAPK8 (0.47) TAAR1LMNARAB9AKMT2AALDH1A1
Hydrochloric Acid SCHEMBL213754 0.73 IDO1 (0.48) TAAR1LMNARAB9AKMT2AALDH1A1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3194382-B1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-09-08 EP disclosed
EP-3194382-B1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2021-09-08 EP disclosed
US-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2021-07-22 US disclosed
US-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2021-07-22 US disclosed
US-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 US disclosed
US-10844064-B2 sGC stimulators CYCLERION THERAPEUTICS, INC. (US) 2020-11-24 US disclosed
CN-107223125-B SGC stimulant 赛科理音医疗有限公司 2019-09-27 CN disclosed
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC 2019-09-19 US disclosed
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC 2019-09-19 US disclosed
US-20190031641-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS CYCLERION THERAPEUTICS, INC. 2019-01-31 US disclosed
WO-2016044441-A1 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 WO disclosed
WO-2016044447-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2016-03-24 WO disclosed
CN-102993084-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2015-05-20 CN disclosed
EP-2646438-A1 3-HETARYL-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS Merck Patent GmbH (DE) 2013-10-09 EP disclosed
US-20130245355-A1 3-HETARYL-SUBSTITUTED PYRROLO[2,3 B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS MERCK PATENT GMBH (DE) 2013-09-19 US disclosed
CN-103228657-A 3-heteroaryl-substituted pyrrolo [2,3-b ] pyridine derivatives as PDK1 inhibitors MERCK PATENT GMBH 2013-07-31 CN disclosed
CN-102993084-A Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2013-03-27 CN disclosed
CN-101001846-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-11-07 CN disclosed
WO-2012072200-A1 3-HETARYL-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS MERCK PATENT GMBH (DE) 2012-06-07 WO disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN 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 (5 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-20210221793-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 TAAR1 2223/4885LMNA 4353/4885RAB9A 2653/4885
US-20190284168-A1 PYRAZOLE DERIVATIES AS SGC STIMULATORS PTGIS, GMPS, NOS3 TAAR1 2464/4885LMNA 4316/4885RAB9A 2574/4885
US-20130245355-A1 3-HETARYL-SUBSTITUTED PYRROLO[2,3 B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS PDK1, PDK2, PDK3 TAAR1 4133/4885LMNA 3634/4885RAB9A 1359/4885
US-10844064-B2 sGC stimulators GUCY1B1, GUCY1A1, PRKG1 TAAR1 2199/4885LMNA 4107/4885RAB9A 745/4885
US-20190031641-A1 PYRAZOLE DERIVATIVES AS SGC STIMULATORS PTGIS, GMPS, NOS3 TAAR1 2223/4885LMNA 4353/4885RAB9A 2653/4885

“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.