SCHEMBL17730453

SCHEMBL17730453

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.37
▸ KDM1A O60341 6/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.33
▸ HTR3B O95264 1/20 0.33
▸ HTR3A P46098 1/20 0.33
▸ HTR3D Q70Z44 1/20 0.33
▸ HTR3C Q8WXA8 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ TPMT P51580 1/20 0.31

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
SCHEMBL17730454 1.00 GRIN2B (0.37) GRIN2BKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL17737720 1.00 GRIN2B (0.37) GRIN2BKDM1ATAS1R3TAS1R1TAS1R2
SCHEMBL641872 0.85 CES2 (0.44) KDM1ARECQLCES2CES1
SCHEMBL17730393 0.85 HTR3E (0.44) GRIN2BKDM1AHTR3EHTR3BHTR3A
SCHEMBL17730391 0.85 HTR3E (0.44) GRIN2BKDM1AHTR3EHTR3BHTR3A
SCHEMBL641873 0.85 CES2 (0.44) KDM1ARECQLCES2CES1
SCHEMBL17737723 0.85 HTR3E (0.44) GRIN2BKDM1AHTR3EHTR3BHTR3A
SCHEMBL22044467 0.77 TAS1R3 (0.34) GRIN2BTAS1R3TAS1R1TAS1R2
SCHEMBL5224082 0.76 CTSL (0.38) KDM1ARECQLCES2CES1
SCHEMBL16590402 0.76 PRSS1 (0.39) KDM1ARECQLCES2CES1TPMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GRIN2B 3168/4885KDM1A 3172/4885TAS1R3 491/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 GRIN2B 3168/4885KDM1A 3172/4885TAS1R3 491/4885

“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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