SCHEMBL17730391

SCHEMBL17730391

N/C(=N\O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 2/20 0.44
▸ HTR3B O95264 2/20 0.44
▸ HTR3A P46098 2/20 0.44
▸ HTR3D Q70Z44 2/20 0.44
▸ HTR3C Q8WXA8 2/20 0.44
▸ TPMT P51580 1/20 0.42
▸ TSHR P16473 2/20 0.40
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RECQL P46063 2/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL17737723 1.00 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17730393 1.00 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17737720 0.85 GRIN2B (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17730454 0.85 GRIN2B (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17730453 0.85 GRIN2B (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8121974 0.78 TTR (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL101968 0.78 GRIN2B (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13893055 0.78 GRIN2B (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL101969 0.78 GRIN2B (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25298656 0.78 ALDH1A1 (0.49) RECQLALDH1A1HSD17B10LMNAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117479934-A HIPK2 inhibitors for the treatment of renal fibrosis 西奈山伊坎医学院 2024-01-30 — — CN disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 — — EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 — — US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 — — US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 — — EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 — — 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-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 HTR3E 259/4885HTR3B 612/4885HTR3A 440/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 HTR3E 259/4885HTR3B 612/4885HTR3A 440/4885

“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.

Send feedback