SCHEMBL18988414

SCHEMBL18988414

O=C(NNC1CCN(C(=O)O)CC1(F)F)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.41
▸ CCR1 P32246 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ ACHE P22303 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL20583811 0.84 KDM4E (0.55) POLBKDM4EMEN1KMT2A
SCHEMBL3332951 0.76 NPSR1 (0.44) SMN1; SMN2POLBACHENPSR1MEN1
SCHEMBL22291055 0.75 GAA (0.42) SMN1; SMN2EPHX1GAAALDH1A1
SCHEMBL22291056 0.75 GAA (0.42) SMN1; SMN2EPHX1GAAALDH1A1
SCHEMBL26621560 0.75 GAA (0.42) SMN1; SMN2EPHX1GAAALDH1A1
SCHEMBL26963280 0.72 EPHX2 (0.33) —
SCHEMBL27125182 0.72 EPHX2 (0.33) —
SCHEMBL17781920 0.71 APLNR (0.37) CYP2C9EPHX1MEN1KMT2AGAA
SCHEMBL23443581 0.71 KDM4E (0.65) SMN1; SMN2KDM4EKMT2AGAAALDH1A1
SCHEMBL17981259 0.70 EPHX2 (0.38) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11826351-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2023-11-28 — — US disclosed
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2023-11-23 — — US disclosed
US-20220062239-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2022-03-03 — — US disclosed
US-20210093611-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2021-04-01 — — US disclosed
EP-3782994-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS Loxo Oncology, Inc. (US) 2021-02-24 — — EP disclosed
US-10918622-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2021-02-16 — — US disclosed
EP-3390395-B1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY INC (US) 2020-09-09 — — EP disclosed
US-20200276162-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2020-09-03 — — US disclosed
US-10695323-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2020-06-30 — — US disclosed
US-10464905-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY INC. (US) 2019-11-05 — — US disclosed
US-10342780-B2 Compounds useful as kinase inhibitors LOXO ONCOLOGY, INC. (US) 2019-07-09 — — US disclosed
US-20190135762-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2019-05-09 — — US disclosed
US-20190000806-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2019-01-03 — — US disclosed
US-20180362512-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS LOXO ONCOLOGY, INC. 2018-12-20 — — US disclosed
EP-3390395-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS Loxo Oncology Inc. (US) 2018-10-24 — — EP disclosed
WO-2017103611-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS REDX PHARMA PLC (GB) 2017-06-22 — — 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 (12 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-20220062239-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-20180362512-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-20190135762-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-10918622-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-20200276162-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-11826351-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-10695323-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-20230372298-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-20210093611-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-10464905-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-10342780-B2 Compounds useful as kinase inhibitors BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885
US-20190000806-A1 COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, ABL1, LCK CYP2C9 2791/4885CCR1 2229/4885SMN1; SMN2 4715/4885

“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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