SCHEMBL16623470

SCHEMBL16623470

Cc1ccccc1C(=N)c1c(C#N)c[nH]c(=O)c1Nc1csc(C(N)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.34
ALDH1A1 P00352 2/20 0.33
FLT3 P36888 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CYP3A4 P08684 1/20 0.30
PARP1 P09874 1/20 0.30
CYP2C9 P11712 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL16623537 0.92 MCL1 (0.32) ALDH1A1KMT2ALMNAHPGD
SCHEMBL16623469 0.87 ALDH1A1 (0.34) ALDH1A1FLT3KMT2AATMLMNA
SCHEMBL16623448 0.79 MAPK14 (0.32) ALDH1A1KMT2ALMNAHPGD
SCHEMBL16623462 0.78
SCHEMBL16726655 0.70
SCHEMBL16623534 0.66 MAP2K1 (0.31)
SCHEMBL16611137 0.65 LRRK2 (0.38) KMT2ALMNAHPGD
SCHEMBL16623494 0.64 CHUK (0.33)
SCHEMBL16611552 0.63 LRRK2 (0.36) LMNA
SCHEMBL16623482 0.58 PRKD1 (0.31) KMT2AATM

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-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP 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-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 PDE4B 1902/4885ALDH1A1 3511/4885FLT3 1654/4885

“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.