SCHEMBL11903373

SCHEMBL11903373

Nc1cc2c(N)nc(-c3ccc(Br)c(Cl)c3)nc2cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.39
CYP1A2 P05177 5/20 0.39
CYP1B1 Q16678 5/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.35
DHFR P00374 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
LATS1 O95835 2/20 0.33
LATS2 Q9NRM7 2/20 0.33
S1PR1 P21453 1/20 0.33
KMO O15229 1/20 0.33
GRM1 Q13255 1/20 0.32
CNR1 P21554 1/20 0.32
EPHB4 P54760 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL11903363 0.90 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL11903355 0.88 NPC1 (0.51) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL11902833 0.88 CYP1A1 (0.41) CYP1A1CYP1A2CYP1B1HTTFGFR1
SCHEMBL867887 0.82 CYP1A2 (0.39) CYP1A1CYP1A2CYP1B1LATS1LATS2
SCHEMBL17476606 0.79 NPC1 (0.35) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL17476604 0.74 EGFR (0.45) CYP1A1CYP1A2CYP1B1EGFR
SCHEMBL11902447 0.73 DHFR (0.47) DHFR
SCHEMBL11902828 0.73 SYK (0.46) EGFR
SCHEMBL867664 0.72 MPL (0.44) S1PR1KMO
SCHEMBL9566515 0.72 RAB9A (0.70) NPC1RAB9ADHFRS1PR1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 US disclosed
US-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 US disclosed
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 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-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, ERBB3 CYP1A1 668/4885CYP1A2 751/4885CYP1B1 552/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 CYP1A1 737/4885CYP1A2 849/4885CYP1B1 605/4885

“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.