SCHEMBL9965855

SCHEMBL9965855

CN1CC(NCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.54
BACE1 P56817 9/20 0.54
BCHE P06276 8/20 0.54
CARM1 Q86X55 4/20 0.54
PRMT6 Q96LA8 4/20 0.54
GRIN2B Q13224 2/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
FYN P06241 1/20 0.49
RAB9A P51151 1/20 0.49
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
FABP6 P51161 1/20 0.47

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
SCHEMBL11727639 0.86 ACHE (0.65) ACHEBACE1BCHECARM1PRMT6
SCHEMBL14699811 0.86 ACHE (0.49) ACHEBACE1BCHECARM1PRMT6
SCHEMBL20069019 0.83 ACHE (0.57) ACHEBACE1BCHECARM1PRMT6
SCHEMBL8081164 0.81 ACHE (0.68) ACHEBACE1BCHECARM1PRMT6
SCHEMBL18471685 0.81 ACHE (0.51) ACHEBACE1BCHECARM1PRMT6
SCHEMBL19016226 0.81 CARM1 (0.50) ACHEBACE1BCHECARM1PRMT6
SCHEMBL15587607 0.81 BCHE (0.59) ACHEBACE1BCHECARM1PRMT6
SCHEMBL24928272 0.81 ACHE (0.54) ACHEBACE1BCHECARM1PRMT6
SCHEMBL17320169 0.81 ACHE (0.58) ACHEBACE1BCHECARM1PRMT6
SCHEMBL25093393 0.80 ACHE (0.50) ACHEBACE1BCHECARM1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328219-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-02-28 EP disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 US disclosed
WO-2023205701-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-10-26 WO disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 US disclosed
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES BAYER AG (DE) 2023-01-26 US disclosed
WO-2022081912-A2 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-04-21 WO disclosed
WO-2021074227-A1 2-METHYL-AZA-QUINAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 WO disclosed
CN-109134367-B Compound for inhibiting ROCK and application thereof 成都先导药物开发股份有限公司 2020-10-02 CN disclosed
WO-2019201848-A1 2-METHYL-AZA-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-24 WO disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
WO-2012151448-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
WO-2012083246-A1 NOVEL N- (4- (AZETIDINE - 1 - CARBONYL) PHENYL) - (HETERO - ) ARYLSULFONAMIDE DERIVATIVES AS PYRUVATE KINASE M2 (PMK2) MODULATORS AGIOS PHARMACEUTICALS, INC. (US) 2012-06-21 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 (4 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-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 ACHE 4858/4885BACE1 4309/4885BCHE 4534/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B ACHE 2058/4885BACE1 3790/4885BCHE 1068/4885
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT ACHE 3569/4885BACE1 4441/4885BCHE 2686/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 ACHE 4858/4885BACE1 4309/4885BCHE 4534/4885

“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.