SCHEMBL15315541

SCHEMBL15315541

Cc1cc(NCCN2CCOCC2)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.44
ABL1 P00519 2/20 0.44
BCR P11274 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CHRM1 P11229 2/20 0.41
CYP1A2 P05177 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL15006453 0.89 ABL1 (0.52) RAB9ACYP2D6LMNATP53POLB
SCHEMBL4855643 0.87 RAB9A (0.58) RAB9ACYP3A4CYP2D6LMNATP53
SCHEMBL11916145 0.86 ABL1 (0.52) RAB9ACYP2D6LMNAABL1BCR
SCHEMBL13034201 0.80 SIGMAR1 (0.58) LMNAABL1BCRSIGMAR1L3MBTL1
SCHEMBL13164567 0.76 RECQL (0.67) CYP3A4CYP2D6LMNARECQLKDM4E
SCHEMBL10104284 0.76 RAPGEF4 (0.43) ABL1BCR
SCHEMBL13841388 0.75 TSHR (0.60) RAB9ACYP3A4CYP2D6LMNAPOLB
SCHEMBL11919304 0.74 ABL1 (0.50) RAB9ACYP2D6LMNAABL1BCR
SCHEMBL10104413 0.74 KDM4E (0.40) LMNATP53POLBKDM4EACHE
SCHEMBL19590633 0.73 MAPT (0.47) CYP3A4CYP2D6SIGMAR1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 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 (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-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 RAB9A 3780/4885CYP3A4 1862/4885CYP2D6 1839/4885

“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.