SCHEMBL346249

SCHEMBL346249

COC(=O)c1cc(-c2cnn(C)c2)cc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
PDK2 Q15119 1/20 0.50
CSF1R P07333 4/20 0.48
KIT P10721 3/20 0.48
LOXL2 Q9Y4K0 2/20 0.46
ABL1 P00519 8/20 0.45
RET P07949 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
YES1 P07947 1/20 0.41
LYN P07948 1/20 0.41
HCK P08631 1/20 0.41
FGR P09769 1/20 0.41
SRC P12931 1/20 0.41
CSK P41240 1/20 0.41
BLK P51451 1/20 0.41
BMX P51813 1/20 0.41
SRMS Q9H3Y6 1/20 0.41
BRAF P15056 1/20 0.41
ERN1 O75460 1/20 0.41

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
SCHEMBL476195 0.86 PDK2 (0.49) PDK2ABL1ERN1GSK3BDYRK1A
SCHEMBL345756 0.85 LOXL2 (0.50) CSF1RKITLOXL2ABL1ERN1
SCHEMBL13942073 0.80 LOXL2 (0.51) PDK2CSF1RKITLOXL2ABL1
SCHEMBL30913598 0.80 PDK2 (0.45) NOTUMPDK2LOXL2ERN1GSK3B
SCHEMBL12133510 0.80 ABL1 (0.53) CSF1RKITABL1LCKFYN
SCHEMBL8613485 0.79 NOTUM (0.63) NOTUM
SCHEMBL18397058 0.77 MKNK1 (0.57) PDK2CSF1RKIT
SCHEMBL23165344 0.76 GABRG2 (0.53) PDK2CSF1RKITFYNERN1
SCHEMBL8506804 0.75 NOTUM (0.59) NOTUMPDK2
SCHEMBL1999038 0.75 NOTUM (0.77) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 US disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 WO disclosed
WO-2011146591-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-24 WO disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 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 (7 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 NOTUM 3968/4885PDK2 1598/4885CSF1R 763/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 NOTUM 2965/4885PDK2 740/4885CSF1R 1394/4885
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 NOTUM 2006/4885PDK2 877/4885CSF1R 4527/4885
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 NOTUM 2006/4885PDK2 877/4885CSF1R 4527/4885
US-20110288117-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 NOTUM 3925/4885PDK2 1577/4885CSF1R 717/4885
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 NOTUM 2006/4885PDK2 877/4885CSF1R 4527/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 NOTUM 3191/4885PDK2 493/4885CSF1R 1365/4885

“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.