SCHEMBL3439330

SCHEMBL3439330

Cn1ncc2c(CO)nccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ DYRK1A Q13627 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NOTUM Q6P988 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDR P35968 1/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ CCR4 P51679 1/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ HPGD P15428 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
SCHEMBL17873823 0.77 ADORA2A (0.37) ALDH1A1KDRHCRTR2HCRTR1PI4KA
SCHEMBL14980128 0.74 CYP2A6 (0.39) PDE3BPDE3ADYRK1AALDH1A1PI4KA
SCHEMBL30886184 0.73 PI4KA (0.50) ALDH1A1MEN1KMT2API4KAPI4K2B
SCHEMBL17873835 0.73 RXFP1 (0.41) LMNAALDH1A1KMT2API4KAPI4K2B
SCHEMBL30295640 0.73 RXFP1 (0.41) LMNAALDH1A1KMT2API4KAPI4K2B
SCHEMBL21333185 0.72 RECQL (0.49) LMNASMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL568032 0.72 CCR1 (0.45) LMNASMN1; SMN2HPGDHTT
SCHEMBL3439334 0.71 KDM4E (0.39) ALDH1A1L3MBTL1KDRHCRTR2HCRTR1
SCHEMBL30251799 0.71 KDM4E (0.39) ALDH1A1L3MBTL1KDRHCRTR2HCRTR1
SCHEMBL20746046 0.70 MAPT (0.34) PDE3BPDE3ADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 — — US disclosed
US-8163918-B2 Azaindazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 — — US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — US disclosed
US-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 — — 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 (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-20120035370-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 PDE3B 434/4885PDE3A 276/4885DYRK1A 4448/4885

“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.

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