SCHEMBL20187077

SCHEMBL20187077

O=C(Cl)c1ccc2[nH]ncc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 6/20 0.59
▸ WNT3A P56704 6/20 0.59
▸ MAOB P27338 6/20 0.56
▸ ROCK2 O75116 3/20 0.55
▸ ROCK1 Q13464 3/20 0.55
▸ PRKD3 O94806 1/20 0.55
▸ MAP4K4 O95819 1/20 0.55
▸ RPS6KB1 P23443 1/20 0.55
▸ CLK2 P49760 1/20 0.55
▸ DYRK1A Q13627 1/20 0.55
▸ PRKG1 Q13976 1/20 0.55
▸ PRKD2 Q9BZL6 1/20 0.55
▸ CLK4 Q9HAZ1 1/20 0.55
▸ SGK2 Q9HBY8 1/20 0.55
▸ STK17A Q9UEE5 1/20 0.55
▸ NOS1 P29475 3/20 0.55
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ JAK2 O60674 1/20 0.50
▸ METAP2 P50579 1/20 0.50

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
Hydrochloric Acid SCHEMBL12076870 0.98 CTNNB1 (0.57) CTNNB1WNT3AMAOBROCK2ROCK1
SCHEMBL20187143 0.86 MAOB (0.58) MAOBMAP4K4CLK2DYRK1ACLK4
SCHEMBL30270547 0.84 CTNNB1 (0.65) CTNNB1WNT3AMAOBROCK2ROCK1
SCHEMBL261380 0.84 CTNNB1 (0.65) CTNNB1WNT3AMAOBROCK2ROCK1
SCHEMBL29949712 0.82 AR (0.63) CTNNB1WNT3AMAOBROCK2ROCK1
SCHEMBL122504 0.82 ROCK2 (0.64) CTNNB1WNT3AMAOBROCK2ROCK1
SCHEMBL5799577 0.82 AR (0.63) CTNNB1WNT3AMAOBROCK2ROCK1
SCHEMBL29521387 0.82 ROCK2 (0.64) CTNNB1WNT3AMAOBROCK2ROCK1
SCHEMBL1419814 0.82 AR (0.63) CTNNB1WNT3AMAOBROCK2ROCK1
Hydrochloric Acid SCHEMBL1665151 0.82 CTNNB1 (0.63) CTNNB1WNT3AMAOBROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-08-03 — — US disclosed
CN-107849044-B Triaza-spirodecanones as DDR1 inhibitors 豪夫迈·罗氏有限公司 2021-06-25 — — CN disclosed
EP-3317279-B1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-27 — — EP disclosed
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2019-10-08 — — US disclosed
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-06 — — US disclosed
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors HOFFMAN LA-ROCHE INC. (US) 2019-03-26 — — US disclosed
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS HOFFMANN LA-ROCHE INC. (US) 2018-05-31 — — US disclosed
CN-107849044-A Thriazaspiro last of the ten Heavenly stems ketone compounds as DDR1 inhibitor 豪夫迈·罗氏有限公司 2018-03-27 — — CN 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 (5 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-20230242496-A1 SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA BCL6, SOX18, BCL3 CTNNB1 144/4885WNT3A 200/4885MAOB 4046/4885
US-20190169189-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 CTNNB1 1582/4885WNT3A 3069/4885MAOB 4656/4885
US-20180148450-A1 TRIAZA-SPIRODECANONES AS DDR1 INHIBITORS DDR1, DDR2, DDRGK1 CTNNB1 1582/4885WNT3A 3069/4885MAOB 4656/4885
US-10435407-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 CTNNB1 1582/4885WNT3A 3069/4885MAOB 4656/4885
US-10239876-B2 Triaza-spirodecanones as DDR1 inhibitors DDR1, DDR2, DDRGK1 CTNNB1 1582/4885WNT3A 3069/4885MAOB 4656/4885

“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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