SCHEMBL2902650

SCHEMBL2902650

Cc1ccc(CNc2ccc3c(CNC(=O)c4ccc(F)cc4)cccc3n2)o1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.47
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 1/20 0.38
HTR2C P28335 1/20 0.38
MCHR1 Q99705 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2906926 0.82 MEN1 (0.40) TP53ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL2908910 0.81 NPC1 (0.41) TP53ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL2906936 0.80 HTT (0.57) TP53ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL2249125 0.79 NPC1 (0.46) TP53ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL2908631 0.77 NPC1 (0.47) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL2901522 0.77 RAB9A (0.41) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL2901754 0.77 MEN1 (0.43) TP53ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL2909843 0.77 NPC1 (0.46) TP53ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL2907999 0.77 NPC1 (0.46) TP53ALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL2909122 0.77 TP53 (0.43) TP53ALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101516852-B Quinoline derivatives with 5-ht-binding properties HOFFMANN LA ROCHE 2011-11-16 CN claimed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US claimed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP claimed
CN-101516852-A Quinoline derivatives with 5-HT-binding properties HOFFMANN LA ROCHE (CH) 2009-08-26 CN claimed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP claimed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO claimed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 US claimed
CN-101516852-B Quinoline derivatives with 5-ht-binding properties HOFFMANN LA ROCHE 2011-11-16 CN disclosed
US-7825253-B2 2-aminoquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2010-11-02 US disclosed
EP-2076495-B1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES HOFFMANN LA ROCHE (CH) 2010-08-18 EP disclosed
CN-101516852-A Quinoline derivatives with 5-HT-binding properties HOFFMANN LA ROCHE (CH) 2009-08-26 CN disclosed
EP-2076495-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008037626-A1 QUINOLINE DERIVATIVES WITH 5-HT-BINDING PROPERTIES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-03 WO disclosed
US-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-04-03 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-20080081907-A1 2-AMINOQUINOLINE DERIVATIVES AR, ADRA2C, RCC2 TP53 2398/4885ALDH1A1 872/4885HPGD 3225/4885

“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.