SCHEMBL20986452

SCHEMBL20986452

O=C1c2ncncc2CN1C1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.46
▸ MAPK1 P28482 1/20 0.40
▸ HTR2B P41595 8/20 0.36
▸ HTR2A P28223 7/20 0.36
▸ HTR2C P28335 7/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ BMPR1A P36894 1/20 0.35
▸ ACVRL1 P37023 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ MAOA P21397 2/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32

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
SCHEMBL20986449 1.00 PARP1 (0.46) PARP1MAPK1HTR2BHTR2AHTR2C
SCHEMBL20986525 0.80 PARP1 (0.55) PARP1MAPK1HTR2BHTR2AHTR2C
SCHEMBL20986523 0.80 PARP1 (0.55) PARP1MAPK1HTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL20986817 0.79 PARP1 (0.43) PARP1MAPK1HTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL20986820 0.79 PARP1 (0.43) PARP1MAPK1HTR2BHTR2AHTR2C
SCHEMBL20986462 0.77 PARP1 (0.49) PARP1MAPK1HTR2BHTR2AHTR2C
SCHEMBL20986460 0.77 PARP1 (0.49) PARP1MAPK1HTR2BHTR2AHTR2C
SCHEMBL20986606 0.74 PARP1 (0.49) PARP1MAPK1HTR2BHTR2AHTR2C
SCHEMBL20986608 0.74 PARP1 (0.49) PARP1MAPK1HTR2BHTR2AHTR2C
SCHEMBL20986798 0.73 PARP1 (0.42) PARP1MAPK1HTR2BHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE ORION CORPORATION (FI) 2019-05-23 — — 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 (1 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-20190152992-A1 BENZODIOXANE DERIVATIVES AND THEIR PHARMACEUTICAL USE TBXA2R, ADRA2C, ADRB2 PARP1 1967/4885MAPK1 2954/4885HTR2B 80/4885

“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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