SCHEMBL3406044

SCHEMBL3406044

O=C(NCc1ccc(F)cc1)c1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.45
TAOK3 Q9H2K8 2/20 0.45
DHODH Q02127 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 1/20 0.43
ROCK2 O75116 1/20 0.42
MTTP P55157 4/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGDS O60760 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL4111719 0.95 DHODH (0.46) TAOK1TAOK3DHODHSMN1; SMN2HTT
SCHEMBL3404613 0.86 HRH3 (0.45) TAOK1TAOK3DHODHALDH1A1LMNA
SCHEMBL3398436 0.84 PFKFB3 (0.44) MAPTLMNA
SCHEMBL3401119 0.83 TP53 (0.51) ROCK2MAPTLMNAHPGDSHDAC1
SCHEMBL4106104 0.83 HTR2C (0.46) DHODHSMN1; SMN2MAPTLMNAHPGDS
SCHEMBL1616687 0.81 DHODH (0.46) TAOK1TAOK3DHODHL3MBTL1OPRM1
SCHEMBL3401352 0.81 HPGDS (0.49) TAOK1TAOK3HTTROCK2ALDH1A1
SCHEMBL3407108 0.81 PFKFB3 (0.43) TAOK1TAOK3DHODHHPGDSHDAC6
SCHEMBL3407110 0.81 PFKFB3 (0.43) TAOK1TAOK3DHODHHPGDSHDAC6
SCHEMBL3407111 0.80 KDM4E (0.47) SMN1; SMN2ROCK2MAPTALDH1A1LMNA

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
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US claimed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US claimed
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 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 (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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B TAOK1 4361/4885TAOK3 3679/4885DHODH 3659/4885

“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.