SCHEMBL6844276

SCHEMBL6844276

Clc1cccc(-c2cccc3c2ccn3-c2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.44
MAPK14 Q16539 1/20 0.44
NUDT1 P36639 2/20 0.43
NPY5R Q15761 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDE4B Q07343 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP1A2 P05177 1/20 0.39
METAP2 P50579 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
DHPS P49366 1/20 0.39
MAOA P21397 1/20 0.39

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
SCHEMBL6846105 0.86 MAPK14 (0.49) CDC7MAPK14NUDT1CYP11B1CYP11B2
SCHEMBL6847772 0.85 DYRK1A (0.47) MAPK14NPC1RAB9ACYP11B2CYP1A2
SCHEMBL6846083 0.81 CHRNB2 (0.46) CYP11B1CYP11B2CYP1A2KDM4EALDH1A1
SCHEMBL6840695 0.81 NPY5R (0.44) NPY5RKDM4EGRIN1GRIN2B
SCHEMBL6846191 0.81 DHPS (0.50) MAPK14NPC1RAB9ACYP11B1CYP11B2
SCHEMBL6846183 0.80 HSD11B1 (0.45) CDC7MAPK14NPY5RNPC1RAB9A
SCHEMBL6657827 0.79 CYP17A1 (0.41) MAPK14NPC1RAB9ACYP11B1CYP11B2
SCHEMBL6840527 0.79 S1PR1 (0.47) CYP11B1CYP11B2CYP1A2ALDH1A1
SCHEMBL7021321 0.79 MAPT (0.44) MAPK14CYP11B1CYP11B2CYP1A2MAPT
SCHEMBL6663847 0.79 MAPK14 (0.43) CDC7MAPK14NPC1RAB9ACYP11B1

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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors CYP17A1, IDO1, CYP21A2 CDC7 1627/4885MAPK14 3209/4885NUDT1 2421/4885

“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.