SCHEMBL9913796

SCHEMBL9913796

Cc1cccc2c1-c1c(cccc1P(c1ccccc1)c1ccccc1)OCCCCO2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.36
MAP3K14 Q99558 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
MYC P01106 1/20 0.30
PTGER3 P43115 1/20 0.30
LMNA P02545 2/20 0.30
CRHBP P24387 2/20 0.30
CRHR2 Q13324 2/20 0.30
HTT P42858 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
SCHEMBL19928557 0.97 DRD1 (0.36) DRD1MAP3K14SMN1; SMN2GAAITGB2
SCHEMBL3136613 0.91 ITGB2 (0.39) DRD1SMN1; SMN2GAAITGB2ICAM1
SCHEMBL13243539 0.90 ITGB2 (0.38) DRD1SMN1; SMN2GAAITGB2ICAM1
SCHEMBL3133241 0.90 ITGB2 (0.38) DRD1SMN1; SMN2GAAITGB2ICAM1
SCHEMBL20351197 0.90 ITGB2 (0.38) DRD1SMN1; SMN2GAAITGB2ICAM1
SCHEMBL17426095 0.88 ABCG2 (0.38) DRD1MAP3K14SMN1; SMN2CYP3A4TDP1
SCHEMBL372145 0.88 ITGB2 (0.39) DRD1SMN1; SMN2GAAITGB2ICAM1
SCHEMBL3132985 0.85 ITGB2 (0.46) DRD1SMN1; SMN2GAAITGB2ICAM1
SCHEMBL7159681 0.81 LMNA (0.33) MAP3K14SMN1; SMN2GAAITGB2ICAM1
SCHEMBL21201776 0.81 DRD1 (0.32) DRD1ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908888-B2 Processes for preparing pyrazolyl-substituted pyrrolo[2,3-d]pyrimidines INCYTE CORPORATION (US) 2018-03-06 US disclosed
US-20160257687-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2016-09-08 US disclosed
US-9000161-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2015-04-07 US disclosed
US-8993582-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2015-03-31 US disclosed
US-8883806-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2014-11-11 US disclosed
US-20130253191-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2013-09-26 US disclosed
US-20130253190-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2013-09-26 US disclosed
US-20130253193-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION (US) 2013-09-26 US disclosed
US-8501967-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2013-08-06 US disclosed
US-8410265-B2 Processes for preparing JAK inhibitors and related intermediate compounds INCYTE CORPORATION (US) 2013-04-02 US disclosed
US-20120316350-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS LONZA AG (CH) 2012-12-13 US disclosed
US-8258338-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2012-09-04 US disclosed
US-8198468-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2012-06-12 US disclosed
US-8193380-B2 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2012-06-05 US disclosed
US-20110207945-A1 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2011-08-25 US disclosed
US-20110207946-A1 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols LONZA AG (CH) 2011-08-25 US disclosed
US-7973182-B2 enantiomerically pure 1-substituted-3-amino-alcohols, particularly of (S)-(-)- and (R)-(+)-3-N-methylamino-1-(2-thienyl)-1-propanol, by asymmetrically hydrogenating salts of a carboxylic acids with an aminoketone of the formula: LONZA LTD. (CH) 2011-07-05 US disclosed
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS INCYTE CORPORATION 2010-07-29 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 (8 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-20110207946-A1 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols ALDH7A1, BCKDK, AASDHPPT DRD1 303/4885MAP3K14 786/4885SMN1; SMN2 2909/4885
US-20130253193-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 DRD1 3110/4885MAP3K14 32/4885SMN1; SMN2 4508/4885
US-20110207945-A1 Process for the preparation of enantiomerically pure 1-substituted-3-aminoalcohols ALDH7A1, KHK, BCKDK DRD1 515/4885MAP3K14 717/4885SMN1; SMN2 3184/4885
US-20120316350-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE 1-SUBSTITUTED-3-AMINOALCOHOLS CYP2S1, AKR1C3, AKR1B10 DRD1 333/4885MAP3K14 635/4885SMN1; SMN2 3496/4885
US-20160257687-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 DRD1 3110/4885MAP3K14 32/4885SMN1; SMN2 4508/4885
US-20130253190-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 DRD1 3110/4885MAP3K14 32/4885SMN1; SMN2 4508/4885
US-20100190981-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 DRD1 3110/4885MAP3K14 32/4885SMN1; SMN2 4508/4885
US-20130253191-A1 PROCESSES FOR PREPARING JAK INHIBITORS AND RELATED INTERMEDIATE COMPOUNDS JAK3, JAK1, JAK2 DRD1 3110/4885MAP3K14 32/4885SMN1; SMN2 4508/4885

“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.