SCHEMBL16623528

SCHEMBL16623528

Cc1ccc(C(=N)c2c(NC3CCCC3)cc[nH]c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC8 Q9BY41 1/20 0.38
BRD4 O60885 2/20 0.38
JAK1 P23458 6/20 0.38
JAK2 O60674 4/20 0.38
PARP1 P09874 1/20 0.37
EPHX2 P34913 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL16623555 0.89 JAK1 (0.38) RAB9ANPC1HDAC8BRD4JAK1
SCHEMBL16623464 0.88 JAK1 (0.38) HDAC8BRD4JAK1JAK2ALOX15
SCHEMBL16726651 0.88 NPC1 (0.41) RAB9ANPC1CYP1A2SMN1; SMN2BRD4
SCHEMBL16623521 0.88 JAK1 (0.39) RAB9ANPC1JAK1JAK2PARP1
SCHEMBL16623542 0.87 JAK1 (0.39) HDAC8BRD4JAK1JAK2ALOX15
SCHEMBL16623524 0.87 JAK1 (0.37) HDAC8BRD4JAK1JAK2ALOX15
SCHEMBL16623525 0.86 JAK1 (0.36) HDAC8BRD4JAK1JAK2KMT2A
SCHEMBL16623442 0.85 JAK1 (0.40) JAK1JAK2KMT2AEPHX1
SCHEMBL16623527 0.85 JAK1 (0.36) HDAC8BRD4JAK1JAK2EPHX2
SCHEMBL17849199 0.85 NPC1 (0.44) RAB9ANPC1BRD4JAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
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 (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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RAB9A 2162/4885NPC1 4690/4885CYP1A2 3322/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 RAB9A 2162/4885NPC1 4690/4885CYP1A2 3322/4885

“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.