Sugi Predict

Sugi Predict / Compounds / SCHEMBL2678628

SCHEMBL2678628

SCHEMBL2678628

Fc1ccc(-c2ccc(C34CCCN(CCC3)C4)cn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.37
▸ RET P07949 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ ALOX5AP P20292 5/20 0.35
▸ FEN1 P39748 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ MAPKAPK2 P49137 2/20 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
SCHEMBL2679011 0.92 JAK2 (0.39) JAK2RETKDRGSK3ARPS6KA3
SCHEMBL2678702 0.86 NPC1 (0.39) RETMAP2K1MAPK14ALOX5APFEN1
SCHEMBL2678219 0.82 HPGDS (0.43) —
SCHEMBL2678118 0.82 CNR2 (0.55) ALOX5APMAPTCNR2KCNH2
SCHEMBL2678746 0.81 HSD11B1 (0.40) —
SCHEMBL2678244 0.81 HSD11B1 (0.41) —
SCHEMBL2677995 0.81 KDM1A (0.43) ALOX5APFEN1KCNH2
SCHEMBL4466231 0.80 HPGDS (0.41) —
SCHEMBL2678106 0.80 P2RX7 (0.33) KCNH2
SCHEMBL2679668 0.80 ALOX5AP (0.39) ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759343-B2 Azabicycloalkane derivatives, preparation thereof and use thereof in therapy SANOFI (FR) 2014-06-24 — — US disclosed
EP-2118104-B1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI SA (FR) 2013-01-02 — — EP disclosed
US-20120202807-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI (FR) 2012-08-09 — — US disclosed
US-8173669-B2 Azabicycloalkane derivatives, preparation thereof and use thereof in therapy SANOFI-AVENTIS (FR) 2012-05-08 — — US disclosed
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-02-11 — — US disclosed
EP-2118104-A2 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY Sanofi-Aventis (FR) 2009-11-18 — — EP disclosed
WO-2008110699-A2 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2008-09-18 — — 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-20120202807-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 JAK2 890/4885RET 73/4885KDR 804/4885
US-20100035916-A1 AZABICYCLOALKANE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF IN THERAPY TPMT, CYP51A1, ABL1 JAK2 890/4885RET 73/4885KDR 804/4885

“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.