SCHEMBL3500820

SCHEMBL3500820

Nc1nc2[nH]nc(-c3ccccc3Cl)c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.50
WDR5 P61964 1/20 0.50
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
EPHA4 P54764 1/20 0.40
HTR7 P34969 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALPL P05186 1/20 0.37

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
SCHEMBL3501620 0.82 MYC (0.50) MYCWDR5HPGDKDM4EALDH1A1
SCHEMBL3499091 0.78 ALDH1A1 (0.50) HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL13256303 0.76 LIMK1 (0.46) HPGDKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL4753611 0.75 GPBAR1 (0.39) MYCWDR5HPGDKDM4EALDH1A1
SCHEMBL5577941 0.75 HSD11B1 (0.40) MYCWDR5HPGDKDM4EALDH1A1
SCHEMBL13256300 0.74 MEN1 (0.53) ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL3498262 0.73 TGFBR1 (0.46) KDM4EHSD17B10SMN1; SMN2NPC1ALPL
SCHEMBL5577966 0.73 HSD11B1 (0.35) MYCWDR5HPGDKDM4EALDH1A1
SCHEMBL13256307 0.73 LIMK1 (0.49) MYCWDR5HPGDKDM4EALDH1A1
SCHEMBL13256188 0.72 MEN1 (0.48) HPGDKDM4EALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
EP-1713814-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 US disclosed
WO-2005068473-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2005-07-28 WO 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 MYC 764/4885WDR5 1623/4885HPGD 2895/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 MYC 764/4885WDR5 1623/4885HPGD 2895/4885

“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.