SCHEMBL4789256

SCHEMBL4789256

O=[N+]([O-])c1ccc2c(c1)OCCNC2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.59
ADRA2A P08913 5/20 0.59
CRYZ Q08257 1/20 0.43
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TDP2 O95551 1/20 0.39

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
SCHEMBL3353230 0.88 PNMT (0.59) PNMTADRA2AADRA2BADRA2CMEN1
Hydrochloric Acid SCHEMBL7484155 0.87 PNMT (0.57) PNMTADRA2AADRA2BADRA2CMEN1
Hydrochloric Acid SCHEMBL8102356 0.80 MAPT (0.50) PNMTADRA2AADRA2BADRA2CMEN1
SCHEMBL2247008 0.79 PNMT (0.46) PNMTADRA2ACRYZADRA2BADRA2C
SCHEMBL30094887 0.78 MAPT (0.46) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL4950162 0.77 FABP6 (0.49) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL27339670 0.76 ADRA2A (0.44) PNMTADRA2ACRYZMEN1MAPT
SCHEMBL303351 0.75 MEN1 (0.46) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL31021147 0.75 MEN1 (0.46) PNMTADRA2AMEN1MAPTKMT2A
SCHEMBL28566911 0.75 MAPT (0.46) PNMTADRA2ACRYZADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
EP-3564232-B1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2022-01-26 EP disclosed
US-10954216-B2 BMP-signal-inhibiting compound RIKEN (JP) 2021-03-23 US disclosed
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND RIKEN (JP) 2019-11-07 US disclosed
EP-3564232-A1 BMP-SIGNAL-INHIBITING COMPOUND Riken (JP) 2019-11-06 EP disclosed
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 WO disclosed
WO-2008144483-A2 AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS ARMGO PHARMA, INC. (US) 2008-11-27 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 (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-10954216-B2 BMP-signal-inhibiting compound BMP1, BMP2, BMP4 PNMT 4701/4885ADRA2A 3676/4885CRYZ 3566/4885
US-20190337926-A1 BMP-SIGNAL-INHIBITING COMPOUND BMP1, BMP2, BMPR2 PNMT 4608/4885ADRA2A 3413/4885CRYZ 1376/4885

“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.