SCHEMBL21145582

SCHEMBL21145582

COc1ccc(-n2cnnn2)c(CBr)c1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ TSHR P16473 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ LMNA P02545 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ KLKB1 P03952 5/20 0.43
▸ F11 P03951 6/20 0.43
▸ F2 P00734 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL29405518 1.00 ALDH1A1 (0.51) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL19668371 0.88 KMT2A (0.44) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL17221299 0.88 ALDH1A1 (0.55) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL30665150 0.88 ALDH1A1 (0.52) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL17232505 0.88 ALDH1A1 (0.52) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL29697621 0.88 ALDH1A1 (0.55) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL17221253 0.86 ALDH1A1 (0.51) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL21355200 0.86 ALDH1A1 (0.51) ALDH1A1TSHRKMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL21354812 0.86 ALDH1A1 (0.53) ALDH1A1TSHRKMT2ALMNAKDM4E
SCHEMBL29792688 0.86 ALDH1A1 (0.51) ALDH1A1TSHRKMT2ALMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 — — US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 — — US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 — — US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 — — US disclosed
CN-114206852-A Plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2022-03-18 — — CN disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 — — US disclosed
US-20220002275-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-06 — — US disclosed
US-11180484-B2 Pyrazole derivatives as plasma kallikrein inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-11-23 — — US disclosed
CN-113387933-A Pyrazole derivatives as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2021-09-14 — — CN disclosed
CN-109311847-B Pyrazole derivatives as plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2021-07-06 — — CN disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 — — WO disclosed
EP-3760622-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2021-01-06 — — EP disclosed
EP-3464271-B1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2020-05-13 — — EP disclosed
US-20190218205-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-07-18 — — 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 (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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 ALDH1A1 1622/4885TSHR 1726/4885KMT2A 1556/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 ALDH1A1 1622/4885TSHR 1726/4885KMT2A 1556/4885
US-11180484-B2 Pyrazole derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 2328/4885TSHR 1525/4885KMT2A 2351/4885
US-20220002275-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 ALDH1A1 2317/4885TSHR 1981/4885KMT2A 1538/4885
US-20190218205-A1 PYRAZOLE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 2328/4885TSHR 1525/4885KMT2A 2351/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 ALDH1A1 1622/4885TSHR 1726/4885KMT2A 1556/4885

“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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