SCHEMBL15445106

SCHEMBL15445106

CC1CCc2c(F)ccc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.35
DRD3 P35462 5/20 0.35
CYP1A2 P05177 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
PMP22 Q01453 2/20 0.33
GLA P06280 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA1A P35348 1/20 0.32
HTR5A P47898 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL13948432 1.00 DRD2 (0.35) DRD2DRD3CYP1A2HTR1ACYP2D6
SCHEMBL23691473 0.86 SLC6A2 (0.30) TSHRADRA1A
SCHEMBL16555652 0.75 EPAS1 (0.43)
SCHEMBL193673 0.74 DRD2 (0.43) DRD2DRD3CYP1A2HTR1ACYP2D6
SCHEMBL193672 0.74 DRD2 (0.43) DRD2DRD3CYP1A2HTR1ACYP2D6
SCHEMBL1478094 0.74 POLL (0.32)
SCHEMBL10190836 0.74 DRD2 (0.33) DRD2DRD3CYP1A2HTR1ACYP2D6
SCHEMBL10244127 0.74 DRD2 (0.38) DRD2DRD3CYP1A2HTR1ACYP2D6
SCHEMBL13924869 0.74 DRD2 (0.33) DRD2DRD3CYP1A2HTR1ACYP2D6
SCHEMBL19679339 0.74 CYP1A2 (0.38) DRD2CYP1A2HTR1ACYP2D6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546256-B1 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARM INC (US) 2019-10-09 EP disclosed
EP-2540726-B1 Intermediates for the synthesis of E1 activity activating enzyme inhibitors MILLENNIUM PHARM INC (US) 2019-10-09 EP disclosed
US-9802938-B2 Sulfamoylating reagents MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
EP-2178880-B1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS MILLENNIUM PHARM INC (US) 2017-10-04 EP disclosed
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 US disclosed
US-20150353555-A9 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-12-10 US disclosed
US-20150080573-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-8933225-B2 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 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 (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-20150353555-A9 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS SULT1E1, SULT1A1, ALDH18A1 DRD2 4691/4885DRD3 4681/4885CYP1A2 235/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 DRD2 2265/4885DRD3 3014/4885CYP1A2 575/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 DRD2 2265/4885DRD3 3014/4885CYP1A2 575/4885
US-20150080573-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS SULT1E1, SULT1A1, ALDH18A1 DRD2 4691/4885DRD3 4681/4885CYP1A2 235/4885

“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.