SCHEMBL5209734

SCHEMBL5209734

Cc1cc(C)nc(C=Cc2nn(C3CCCCO3)c3cc(Nc4ncccc4C(=O)O)ccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 1/20 0.40
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GAA P10253 1/20 0.37
GRM4 Q14833 5/20 0.36
HTT P42858 2/20 0.35
PKM P14618 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DHODH Q02127 6/20 0.34
ATR Q13535 2/20 0.34
GMNN O75496 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
SCHEMBL5209727 1.00 MEN1 (0.40) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL5206488 0.93 GRM4 (0.36) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL5206482 0.93 GRM4 (0.36) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL5209198 0.89 DGAT2 (0.34) HCRTR1HCRTR2SMN1; SMN2ALDH1A1ATR
SCHEMBL5212558 0.89 KDR (0.35) MEN1KMT2ALMNAMAPTHCRTR1
SCHEMBL5207568 0.85 GRM4 (0.33) HCRTR1HCRTR2GRM4
SCHEMBL5210148 0.83 ALDH1A1 (0.37) MEN1KMT2AMAPTHCRTR1HCRTR2
SCHEMBL5205099 0.82 KDR (0.38) ATR
SCHEMBL5210274 0.81 KDR (0.48) NPC1HCRTR1HCRTR2ALDH1A1
SCHEMBL5210824 0.80 KDR (0.40) NPC1

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-1585743-B1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER (US) 2007-05-23 EP disclosed
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS INC. 2006-07-20 US disclosed
US-7053107-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1585743-A1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER INC. (US) 2005-10-19 EP disclosed
US-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-30 US disclosed
WO-2004056806-A1 2-(1H-INDAZOL-6-YLAMINO)-BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTALMIC DISEASES PFIZER INC. (US) 2004-07-08 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-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 MEN1 4461/4885KMT2A 4569/4885RAB9A 1522/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 MEN1 4461/4885KMT2A 4569/4885RAB9A 1522/4885

“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.