SCHEMBL4699239

SCHEMBL4699239

Cn1nc2c(Br)cccc2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.44
ADORA1 P30542 1/20 0.41
GRM2 Q14416 4/20 0.40
BACE1 P56817 2/20 0.40
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL14416828 0.81 HRH4 (0.42) HRH4MAPTALDH1A1MEN1KMT2A
SCHEMBL359647 0.78 LMNA (0.41) HRH4ADORA1GRM2BACE1MAPT
SCHEMBL27141816 0.77 GRM2 (0.40) HRH4ADORA1GRM2BACE1MAPT
SCHEMBL3366488 0.77 HRH4 (0.41) HRH4ADORA1GRM2BACE1MAPT
SCHEMBL3364397 0.75 MAPT (0.47) HRH4MAPTALDH1A1MEN1KMT2A
SCHEMBL27138483 0.74 GRM2 (0.41) HRH4ADORA1GRM2ALDH1A1
SCHEMBL14077454 0.74 GRM2 (0.45) HRH4ADORA1GRM2BACE1ALDH1A1
SCHEMBL18496493 0.74 HRH4 (0.37) HRH4ADORA1GRM2POLBKDM4E
SCHEMBL18496491 0.73 GRM2 (0.37) HRH4ADORA1GRM2BACE1ALDH1A1
SCHEMBL3364552 0.73 GRM2 (0.41) HRH4ADORA1GRM2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
US-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110815-A1 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC 2004-06-10 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 (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-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH HRH4 55/4885ADORA1 117/4885GRM2 235/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 HRH4 71/4885ADORA1 108/4885GRM2 197/4885

“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.