SCHEMBL4336905

SCHEMBL4336905

Cc1cc(C(=O)N2CCC(CC(=O)O)CC2)no1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
CHRNA4 P43681 2/20 0.51
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.48
GPR6 P46095 1/20 0.46
CYP2D6 P10635 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
SCD5 Q86SK9 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL25676108 0.86 KMT2A (0.56) KMT2ACHRNA4TSHRTHRBMAPT
SCHEMBL13623072 0.86 KMT2A (0.51) KMT2ACHRNA4TSHRTHRBMAPT
SCHEMBL2606197 0.81 NPC1 (0.60) KMT2ACHRNA4TSHRTHRBMAPT
SCHEMBL13670010 0.80 KMT2A (0.62) KMT2ACHRNA4TSHRTHRBMAPT
SCHEMBL25675970 0.80 KMT2A (0.52) KMT2ACHRNA4TSHRTHRBMAPT
SCHEMBL13622722 0.80 FFAR4 (0.43)
SCHEMBL23573417 0.80 KMT2A (0.54) KMT2ACHRNA4TSHRTHRBMAPT
SCHEMBL1023268 0.78 KMT2A (0.53) KMT2ACHRNA4TSHRTHRBMAPT
SCHEMBL2603239 0.78 KMT2A (0.56) KMT2ACHRNA4TSHRTHRBMAPT
SCHEMBL13631422 0.78 KMT2A (0.66) KMT2ACHRNA4TSHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK KMT2A 382/4885CHRNA4 4851/4885TSHR 1918/4885

“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.