SCHEMBL17422299

SCHEMBL17422299

O=Cc1cc(F)c(N2CCN(C(=O)O)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 2/20 0.35
KDM4E B2RXH2 4/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
FFAR4 Q5NUL3 6/20 0.34
BTK Q06187 1/20 0.34
LMNA P02545 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4138974 0.83 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2GAAKDM4EALOX15
SCHEMBL17422311 0.81 KDM4E (0.37) ALDH1A1SMN1; SMN2GAAKDM4EALOX15
SCHEMBL11352178 0.80 BTK (0.38) ALDH1A1SMN1; SMN2GAAKDM4EALOX15
SCHEMBL23235276 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2GAAKDM4EHTT
SCHEMBL4941863 0.79 GPR119 (0.47) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL18876516 0.78 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4EHTTFFAR4
SCHEMBL17422273 0.75 POLB (0.44) ALDH1A1GAALMNAL3MBTL1MEN1
SCHEMBL17422238 0.75 DPP4 (0.40) SMN1; SMN2KDM4EALOX15HTTFFAR4
SCHEMBL4944470 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAKDM4ELMNA
SCHEMBL6223415 0.75 ALDH3A1 (0.53) ALDH1A1SMN1; SMN2ALOX15LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-08-03 US disclosed
EP-3386988-B1 NOVEL DIHYDROPYRANOPYRIMIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO LTD (KR) 2021-09-15 EP disclosed
EP-3166945-B1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO LTD (KR) 2019-10-09 EP disclosed
US-10336765-B2 Dihydropyranopyrimidinone derivatives, and use thereof ST. PHARM CO., LTD. (KR) 2019-07-02 US disclosed
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2019-01-15 US disclosed
US-20180362538-A1 Novel Dihydropyranopyrimidinone Derivatives, and Use Thereof ST. PHARM CO., LTD. (KR) 2018-12-20 US disclosed
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 US disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 US disclosed
US-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-05-25 US disclosed
EP-3166946-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
EP-3166945-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST Pharm Co. Ltd. (KR) 2017-05-17 EP disclosed
WO-2016006974-A2 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 WO disclosed
WO-2016006975-A2 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2016-01-14 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 (6 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-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TNKS, TPI1 ALDH1A1 2244/4885SMN1; SMN2 1022/4885GAA 137/4885
US-20180362538-A1 Novel Dihydropyranopyrimidinone Derivatives, and Use Thereof TNKS1BP1, TPI1, TNKS ALDH1A1 855/4885SMN1; SMN2 893/4885GAA 23/4885
US-20230242541-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND PLK1, BUB1B, BUB1 ALDH1A1 4008/4885SMN1; SMN2 3089/4885GAA 2658/4885
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT ALDH1A1 1644/4885SMN1; SMN2 1247/4885GAA 74/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 ALDH1A1 2275/4885SMN1; SMN2 1306/4885GAA 88/4885
US-10336765-B2 Dihydropyranopyrimidinone derivatives, and use thereof TNKS1BP1, TPI1, TNKS ALDH1A1 831/4885SMN1; SMN2 954/4885GAA 90/4885

“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.