Sugi Predict

Sugi Predict / Compounds / SCHEMBL512728

SCHEMBL512728

SCHEMBL512728

CN(C)C1CN(c2nc(Cl)nc3c2CCC3c2ccc(F)cc2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.34
▸ HTR2A P28223 4/20 0.34
▸ HTR2C P28335 4/20 0.34
▸ HTR2B P41595 4/20 0.34
▸ CYP3A4 P08684 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HRH4 Q9H3N8 3/20 0.32
▸ CHEK2 O96017 2/20 0.32
▸ PSEN1 P49768 2/20 0.31
▸ PSEN2 P49810 2/20 0.31
▸ APH1B Q8WW43 2/20 0.31

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
SCHEMBL513292 0.93 KDM4E (0.41) HRH3CYP3A4KDM4EALDH1A1HPGD
SCHEMBL512280 0.84 GAK (0.38) CYP3A4KDM4EALDH1A1TSHRHSD17B10
SCHEMBL512242 0.83 PDE10A (0.38) HTR2AHTR2C
SCHEMBL18559820 0.82 HRH3 (0.41) HRH3CYP3A4ALDH1A1CYP2D6KCNH2
SCHEMBL513582 0.82 HRH3 (0.35) HRH3CYP3A4CYP2D6KCNH2HRH4
SCHEMBL513595 0.82 SMN1; SMN2 (0.43) HRH3KDM4EHRH1HRH4
SCHEMBL512575 0.82 HRH3 (0.35) HRH3CYP3A4CYP2D6KCNH2HRH4
SCHEMBL513143 0.82 HRH3 (0.35) HRH3CYP3A4CYP2D6KCNH2HRH4
SCHEMBL512660 0.82 C5AR1 (0.33) HRH3CYP3A4CYP2D6KCNH2HRH4
SCHEMBL511681 0.81 HRH3 (0.32) HRH3CYP3A4CYP2D6KCNH2HRH4

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 — — EP disclosed
EP-2668168-B1 COMPOUNDS FOR THE REDUCTION OF ß-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2017-03-01 — — EP disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 — — US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 — — US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 — — US disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 — — EP disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 — — EP disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 — — US disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 — — US disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 — — US disclosed
WO-2012103297-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2012-08-02 — — WO disclosed
EP-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 — — EP disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 — — US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 — — US disclosed
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
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — 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
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 (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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HRH3 3373/4885HTR2A 2291/4885HTR2C 3919/4885
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HRH3 3373/4885HTR2A 2291/4885HTR2C 3919/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HRH3 3373/4885HTR2A 2291/4885HTR2C 3919/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP HRH3 3373/4885HTR2A 2291/4885HTR2C 3919/4885

“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.