SCHEMBL18249841

SCHEMBL18249841

CCCC(=O)Nc1nc2cc(-c3n[nH]c(=O)c4ccccc34)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 7/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ LMNA P02545 1/20 0.63
▸ POLB P06746 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ NPC1 O15118 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SPHK2 Q9NRA0 1/20 0.50
▸ SPHK1 Q9NYA1 1/20 0.50
▸ PARP1 P09874 3/20 0.47
▸ ROCK2 O75116 4/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PARP2 Q9UGN5 2/20 0.44
▸ TUBB4A P04350 1/20 0.44

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
SCHEMBL29813424 1.00 ROCK1 (0.64) ROCK1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL29813155 0.93 ROCK1 (0.66) ROCK1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL18249837 0.93 ROCK1 (0.66) ROCK1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL20579207 0.89 ROCK1 (0.52) ROCK1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL29813401 0.89 ROCK1 (0.52) ROCK1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL29813436 0.89 SMN1; SMN2 (0.67) ROCK1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL18249852 0.89 SMN1; SMN2 (0.67) ROCK1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL20579534 0.88 ROCK1 (0.51) ROCK1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL20579325 0.88 ROCK1 (0.51) ROCK1SMN1; SMN2LMNAPOLBHPGD
SCHEMBL29813399 0.88 ROCK1 (0.51) ROCK1SMN1; SMN2LMNAPOLBHPGD

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
EP-3298005-B1 ANTI-CANCER COMPOUNDS UNIV CALIFORNIA (US) 2024-01-24 — — EP disclosed
EP-3298005-B1 ANTI-CANCER COMPOUNDS UNIV CALIFORNIA (US) 2024-01-24 — — EP disclosed
US-11708352-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-25 — — US disclosed
US-11708352-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-25 — — US disclosed
US-20220267307-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-08-25 — — US disclosed
US-11149025-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-19 — — US disclosed
US-11149025-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-19 — — US disclosed
US-20210009562-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 — — US disclosed
US-20210009562-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-01-14 — — US disclosed
US-10562886-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-18 — — US disclosed
US-10562886-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-02-18 — — US disclosed
US-20180354932-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-12-13 — — US disclosed
EP-3298005-A2 ANTI-CANCER COMPOUNDS The Regents of The University of California (US) 2018-03-28 — — EP disclosed
WO-2016187620-A2 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-24 — — WO disclosed
WO-2016187620-A2 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-11-24 — — 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-10562886-B2 Anti-cancer compounds TP53, VHL, BAD ROCK1 984/4885SMN1; SMN2 2063/4885LMNA 2654/4885
US-20180354932-A1 ANTI-CANCER COMPOUNDS TP53, VHL, BAD ROCK1 984/4885SMN1; SMN2 2063/4885LMNA 2654/4885
US-20210009562-A1 ANTI-CANCER COMPOUNDS TP53, VHL, BAD ROCK1 984/4885SMN1; SMN2 2063/4885LMNA 2654/4885
US-11708352-B2 Anti-cancer compounds TP53, VHL, BAD ROCK1 984/4885SMN1; SMN2 2063/4885LMNA 2654/4885
US-20220267307-A1 ANTI-CANCER COMPOUNDS TP53, VHL, BAD ROCK1 984/4885SMN1; SMN2 2063/4885LMNA 2654/4885
US-11149025-B2 Anti-cancer compounds TP53, VHL, BAD ROCK1 984/4885SMN1; SMN2 2063/4885LMNA 2654/4885

“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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