SCHEMBL21383989

SCHEMBL21383989

COC(=O)c1cc(F)c[n+]([O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA7 P43166 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 6/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
XDH P47989 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 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
SCHEMBL30272049 0.88 ATM (0.49) ABL1RIN1MEN1KMT2ALMNA
SCHEMBL28912860 0.88 ATM (0.49) ABL1RIN1MEN1KMT2ALMNA
SCHEMBL4330192 0.87 ABL1 (0.49) ABL1RIN1CA12CA1CA2
SCHEMBL6066541 0.80 CA1 (0.57) ABL1RIN1CA12CA1CA2
SCHEMBL23756490 0.79 CA12 (0.41) CA12CA1CA2CA9CA14
SCHEMBL1505512 0.79 NOTUM (0.46) ABL1RIN1CA12CA1CA2
SCHEMBL29942313 0.79 CA12 (0.41) CA12CA1CA2CA9CA14
SCHEMBL17295814 0.77 MEN1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL26306813 0.76 ABL1 (0.42) ABL1RIN1CA12CA1CA2
SCHEMBL521670 0.74 CA1 (0.58) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4667464-A1 AZOLYLPYRIDINE PYRIDAZINONE AMIDE AS SOS1 INHIBITOR Cyrus Therapeutics Inc. (KR) 2025-12-24 EP disclosed
EP-3768269-B1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2025-08-20 EP disclosed
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
WO-2024172632-A1 AZOLYLPYRIDINE PYRIDAZINONE AMIDE AS SOS1 INHIBITOR (주) 사이러스테라퓨틱스 2024-08-22 WO disclosed
CN-115466251-B Condensed heterocyclic compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-06-21 CN disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-117377665-A PARP7 inhibitor and application thereof 北京华森英诺生物科技有限公司 2024-01-09 CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
CN-115466251-A Fused heterocyclic compound, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2022-12-13 CN disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114591318-A Pyrazolo heterocyclic compound, preparation method thereof, pharmaceutical composition and application 中国医学科学院药物研究所 2022-06-07 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
EP-3768269-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2021-01-27 EP disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 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 (3 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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 ABL1 1051/4885RIN1 3572/4885CA12 187/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ABL1 1800/4885RIN1 3355/4885CA12 1230/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 ABL1 1800/4885RIN1 3355/4885CA12 1230/4885

“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.