SCHEMBL4569442

SCHEMBL4569442

C=Cc1cccc2cc([C@H](C)Nc3ncnc4c3ncn4Cc3ccc(OC)cc3)nc(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
YTHDC1 Q96MU7 2/20 0.41
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39

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
SCHEMBL4569445 0.92 HDAC1 (0.44) HDAC1HDAC6MAPK1KDM4EMEN1
SCHEMBL3698127 0.89 HDAC1 (0.45) HDAC1HDAC6MAPK1KDM4EMEN1
SCHEMBL3698126 0.89 HDAC1 (0.45) HDAC1HDAC6MAPK1KDM4EMEN1
SCHEMBL3696084 0.86 HDAC1 (0.43) HDAC1HDAC6MAPK1KDM4EMEN1
SCHEMBL3696079 0.86 HDAC1 (0.43) HDAC1HDAC6MAPK1KDM4EMEN1
SCHEMBL4569443 0.85 HDAC1 (0.47) HDAC1HDAC6MAPK1KDM4EMEN1
SCHEMBL3702160 0.83 HDAC1 (0.46) HDAC1HDAC6MAPK1KDM4EMEN1
SCHEMBL3702155 0.83 HDAC1 (0.46) HDAC1HDAC6MAPK1KDM4EMEN1
SCHEMBL4569419 0.83 HDAC1 (0.42) HDAC1HDAC6MAPK1KDM4EMEN1
SCHEMBL3699542 0.81 HDAC1 (0.44) HDAC1HDAC6MAPK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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 (2 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HDAC1 440/4885HDAC6 340/4885MAPK1 186/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB HDAC1 440/4885HDAC6 340/4885MAPK1 186/4885

“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.