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SCHEMBL513185

SCHEMBL513185

CC1c2c(N)nc(N)nc2C(c2ccc(OC(F)(F)F)cc2)C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 5/20 0.39
▸ CHRNA7 P36544 1/20 0.36
▸ EIF2AK2 P19525 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ RCOR1 Q9UKL0 1/20 0.35
▸ ADORA2A P29274 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SCN5A Q14524 2/20 0.32
▸ SCN9A Q15858 2/20 0.32
▸ GMNN O75496 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL513416 0.79 NOS1 (0.38) DHFRGMNNLMNATP53CYP1A2
SCHEMBL513186 0.70 KDM1A (0.41) DHFRCHRNA7KDM1ARCOR1ADORA2A
SCHEMBL28152179 0.64 DHFR (0.49) DHFRCHRNA7ADORA2AKIF11SCN5A
SCHEMBL27675967 0.62 CHRNA7 (0.62) DHFRCHRNA7ADORA2ANPC1RAB9A
SCHEMBL512760 0.60 NOS1 (0.36) DHFRGMNNLMNATP53CYP1A2
SCHEMBL254957 0.60 MAPT (0.56) KIF11LMNATP53CYP3A4GAA
SCHEMBL18998726 0.60 KDM1A (0.47) KDM1ARCOR1KIF11SLC6A2SLC6A3
SCHEMBL18998470 0.60 KDM1A (0.47) KDM1ARCOR1KIF11SLC6A2SLC6A3
SCHEMBL12875677 0.60 KDM1A (0.47) KDM1ARCOR1KIF11SLC6A2SLC6A3
SCHEMBL1388613 0.59 DHFR (0.53) DHFRSCN5ASCN9ATP53SCN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — US claimed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 — — WO claimed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 — — US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — US disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 — — 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 (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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP DHFR 2702/4885CHRNA7 392/4885EIF2AK2 2799/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP DHFR 2702/4885CHRNA7 392/4885EIF2AK2 2799/4885

“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.