SCHEMBL12015848

SCHEMBL12015848

CNc1cncc(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ HTR7 P34969 1/20 0.30
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL21100840 0.81 TDP1 (0.37) KDM4EALDH1A1POLBP2RX4NPC1
SCHEMBL8049000 0.78 KDM4E (0.58) KDM4EALDH1A1EGFR
SCHEMBL725480 0.78 PRMT5 (0.34) ALDH1A1PRMT5WDR77
SCHEMBL12147001 0.76 PIK3CB (0.53) KDM4E
SCHEMBL28361799 0.76 PRMT5 (0.33) ALDH1A1PRMT5WDR77
SCHEMBL12015757 0.75 GAA (0.47) KDM4EPOLBP2RX4NPC1RAB9A
SCHEMBL25916917 0.74 GABRA1 (0.34) —
SCHEMBL21349064 0.74 KMT2A (0.45) KDM4EALDH1A1POLBP2RX4NPC1
SCHEMBL3635420 0.74 KIF11 (0.51) KDM4EALDH1A1POLBP2RX4NPC1
SCHEMBL12015776 0.74 HTR7 (0.40) KDM4EALDH1A1RAB9AEGFRHTR7

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
WO-2023094827-A1 SPIROCYCLIC CAV2.3 ANTAGONISTS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 — — WO disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 — — US disclosed
CN-101868457-B (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2013-02-13 — — CN disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 — — US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 — — US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 — — US disclosed
CN-101868457-A (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2010-10-20 — — CN disclosed
CN-101821238-A Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) COMENTIS INC 2010-09-01 — — CN disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — 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 (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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDM4E 3566/4885ALDH1A1 1642/4885POLB 1849/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDM4E 3566/4885ALDH1A1 1642/4885POLB 1849/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KDM4E 3566/4885ALDH1A1 1642/4885POLB 1849/4885

“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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