SCHEMBL9909446

SCHEMBL9909446

Cc1ccc(C(=N)NCl)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.40
CCR5 P51681 2/20 0.40
CCR8 P51685 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
HCRTR1 O43613 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35

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
SCHEMBL9909435 0.77 P4HTM (0.38) RAB9AMAPTSMN1; SMN2NPC1HCRTR1
SCHEMBL23607218 0.75 CCR1 (0.46) CCR1CCR5CCR8HDAC6RAB9A
SCHEMBL15149491 0.74 MAOB (0.45) CCR1CCR5CCR8HDAC6RAB9A
SCHEMBL8233242 0.74 ADRA2A (0.47) CCR1CCR5CCR8HDAC6RAB9A
SCHEMBL25862284 0.73 CCR1 (0.40) CCR1CCR5CCR8HDAC6RAB9A
Hydrochloric Acid SCHEMBL2972454 0.72 ADRA2A (0.48) CCR1CCR5CCR8HDAC6RAB9A
SCHEMBL9909449 0.72 UHRF1 (0.42) CCR1CCR5CCR8RAB9AMAPT
SCHEMBL19445214 0.71 RAB9A (0.41) RAB9AMAPTSMN1; SMN2NPC1TDP1
SCHEMBL5594529 0.71 NPC1 (0.43) RAB9AMAPTSMN1; SMN2NPC1TP53
SCHEMBL22270446 0.71 HDAC1 (0.50) HDAC6RAB9AMAPTXIAPBIRC2

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-9150601-B2 Blue-light-emitting iridium complex, iridium complex monomer, phosphorus polymer, and organic electroluminescence device using same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-10-06 US disclosed
US-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-06-07 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-20120138917-A1 BLUE-LIGHT-EMITTING IRIDIUM COMPLEX, IRIDIUM COMPLEX MONOMER, PHOSPHORUS POLYMER, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING SAME IPMK, INTS9, ITK CCR1 3570/4885CCR5 1886/4885CCR8 3895/4885

“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.