SCHEMBL1038240

SCHEMBL1038240

C1CNCCCOCCOC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
CXCR4 P61073 1/20 0.44
TTR P02766 1/20 0.43
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.33
KDR P35968 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL19180206 0.96
SCHEMBL26751261 0.96 MEN1 (0.56) MEN1KMT2AGAAKDM4ECYP2C9
SCHEMBL624587 0.96
SCHEMBL12009416 0.94 MEN1 (0.75) MEN1KMT2AGAAKDM4ECYP2C9
SCHEMBL31424572 0.93 MEN1 (0.53) MEN1KMT2AGAAKDM4ECYP2C9
Hydrochloric Acid SCHEMBL2754270 0.93
SCHEMBL13602344 0.90
SCHEMBL59122 0.90
SCHEMBL1635363 0.90
SCHEMBL26751260 0.90 MEN1 (0.69) MEN1KMT2AGAAKDM4ECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461327-B2 Diamine salts of carboxylic acids DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-06-11 US claimed
US-20110028712-A1 DIAMINE SALTS OF CARBOXYLIC ACIDS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2011-02-03 US claimed
EP-2276840-A1 DIAMINE SALTS OF CARBOXYLIC ACIDS DSM IP Assets B.V. (NL) 2011-01-26 EP claimed
WO-2009121869-A1 DIAMINE SALTS OF CARBOXYLIC ACIDS DSM IP ASSETS B.V. (NL) 2009-10-08 WO claimed
US-9718834-B2 Processes and intermediates for making a JAK inhibitor INCYTE CORPORATION (US) 2017-08-01 US disclosed
US-20170015674-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR INCYTE CORPORATION 2017-01-19 US disclosed
US-8461327-B2 Diamine salts of carboxylic acids DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-06-11 US disclosed
US-8461327-B2 Diamine salts of carboxylic acids DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2013-06-11 US disclosed
CN-102046800-A Diamine salts of carboxylic acids DSM IP ASSETS BV 2011-05-04 CN disclosed
US-20110028712-A1 DIAMINE SALTS OF CARBOXYLIC ACIDS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2011-02-03 US disclosed
US-20110028712-A1 DIAMINE SALTS OF CARBOXYLIC ACIDS DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2011-02-03 US disclosed
EP-2276840-A1 DIAMINE SALTS OF CARBOXYLIC ACIDS DSM IP Assets B.V. (NL) 2011-01-26 EP disclosed
EP-2276840-A1 DIAMINE SALTS OF CARBOXYLIC ACIDS DSM IP Assets B.V. (NL) 2011-01-26 EP disclosed
WO-2009121869-A1 DIAMINE SALTS OF CARBOXYLIC ACIDS DSM IP ASSETS B.V. (NL) 2009-10-08 WO disclosed
WO-2009121869-A1 DIAMINE SALTS OF CARBOXYLIC ACIDS DSM IP ASSETS B.V. (NL) 2009-10-08 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 (1 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-20170015674-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR JAK1, JAK2, JAK3 MEN1 1782/4885KMT2A 663/4885GAA 4027/4885

“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.