SCHEMBL17522170

SCHEMBL17522170

CC(C)(C)[Si](OC1CC(N)C(N)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 10/20 0.36
▸ MAOB P27338 9/20 0.36
▸ MAOA P21397 7/20 0.36
▸ TAAR1 Q96RJ0 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM1B Q8NB78 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ CYP2C19 P33261 4/20 0.33
▸ CYP2B6 P20813 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2C P28335 1/20 0.33

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
SCHEMBL19857328 0.92 BACE1 (0.34) KDM1AMAOBMAOATAAR1LMNA
SCHEMBL29799031 0.92 BACE1 (0.34) KDM1AMAOBMAOATAAR1LMNA
SCHEMBL30524678 0.90 BACE1 (0.36) KDM1AMAOBMAOATAAR1LMNA
SCHEMBL31035756 0.90 BACE1 (0.36) KDM1AMAOBMAOATAAR1LMNA
SCHEMBL19896059 0.87 BACE1 (0.35) KDM1AMAOBMAOATAAR1LMNA
SCHEMBL19896057 0.87 BACE1 (0.35) KDM1AMAOBMAOATAAR1LMNA
SCHEMBL19896060 0.87 BACE1 (0.35) KDM1AMAOBMAOATAAR1LMNA
SCHEMBL19857501 0.85 BACE1 (0.35) KDM1AMAOBMAOATAAR1LMNA
SCHEMBL13250486 0.85 BACE1 (0.36) LMNABACE1CYP2C19CYP1A2CYP2C9
SCHEMBL25520998 0.85 BACE1 (0.36) LMNABACE1CYP2C19CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 — — US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 — — US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 — — 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 (2 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-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC KDM1A 3867/4885MAOB 3753/4885MAOA 4024/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC KDM1A 3867/4885MAOB 3753/4885MAOA 4024/4885

“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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