SCHEMBL17605407

SCHEMBL17605407

COC[C@H](C)N(Cc1ccc(F)cc1)C(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ PDE6D O43924 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ RIPK1 Q13546 2/20 0.36
▸ YAP1 P46937 1/20 0.36
▸ TEAD4 Q15561 1/20 0.36
▸ TEAD2 Q15562 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35

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
SCHEMBL17605409 1.00 JAK1 (0.41) JAK1KMT2AGAAMEN1CA12
SCHEMBL17605248 0.78 EP300 (0.41) KMT2AGAAMEN1TDP1MAPK1
SCHEMBL17605250 0.78 EP300 (0.41) KMT2AGAAMEN1TDP1MAPK1
SCHEMBL17606207 0.76 GAA (0.46) KMT2AGAAMEN1TDP1
SCHEMBL17605328 0.76 GAA (0.46) KMT2AGAAMEN1TDP1
SCHEMBL17605329 0.76 GAA (0.46) KMT2AGAAMEN1TDP1
SCHEMBL1458166 0.74 ALDH1A1 (0.47) KMT2AMEN1TDP1MAPK1TSHR
SCHEMBL3508311 0.74 ALDH1A1 (0.47) KMT2AMEN1TDP1MAPK1TSHR
SCHEMBL15058845 0.74 ALDH1A1 (0.47) KMT2AMEN1TDP1MAPK1TSHR
SCHEMBL15011877 0.72 KMT2A (0.54) KMT2AMEN1CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 — — US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 — — US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 — — US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 — — 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 (3 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 JAK1 4412/4885KMT2A 127/4885GAA 1584/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A JAK1 4402/4885KMT2A 97/4885GAA 1660/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 JAK1 4412/4885KMT2A 127/4885GAA 1584/4885

“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.

Send feedback