SCHEMBL13286913

SCHEMBL13286913

CNC(=O)c1cc2cccnc2c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.53
▸ CCR8 P51685 2/20 0.53
▸ PLK1 P53350 2/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SLC40A1 Q9NP59 3/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ EGLN1 Q9GZT9 3/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ KDM6B O15054 1/20 0.42
▸ KDM6A O15550 1/20 0.42
▸ TET3 O43151 1/20 0.42
▸ KDM4A O75164 1/20 0.42

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
SCHEMBL11907463 0.83 CCR1 (0.57) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL679992 0.81 KDM4E (0.60) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL27558406 0.80 L3MBTL1 (0.50) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL29089092 0.80 PARP1 (0.60) CCR1CCR8L3MBTL1MAPTALDH1A1
Acetic Acid SCHEMBL3191395 0.78 PARP1 (0.54) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL8402853 0.78 NPC1 (0.64) PLK1MAPTALDH1A1POLBTDP1
SCHEMBL11801910 0.77 KDM4E (0.68) L3MBTL1MAPTALDH1A1TDP1KDM4E
SCHEMBL27976323 0.76 PLK1 (0.44) PLK1MAPTPOLBTDP1
SCHEMBL16581146 0.76 L3MBTL1 (0.49) CCR1CCR8L3MBTL1MAPTALDH1A1
SCHEMBL30134451 0.75 KMT2A (0.58) L3MBTL1MAPTALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144046-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION BIO-RAD LABORATORIES, INC. (US) 2010-06-10 — — 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-20100144046-A1 CYCLOMETALATED TRANSITION METAL COMPLEXES FOR MULTIPLEX ANALYTE DETECTION CAD, NCLN, CCL5 CCR1 230/4885CCR8 250/4885PLK1 1579/4885

“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.

Send feedback