Sugi Predict

Sugi Predict / Compounds / SCHEMBL2063435

SCHEMBL2063435

SCHEMBL2063435

COc1cccc(OC)c1C(=O)n1cc(C2=CCN3CCCC3C2)c2cnccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ BLK P51451 1/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ MEN1 O00255 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
SCHEMBL7595072 0.90 KMT2A (0.40) BTKKDM4EALDH1A1KMT2AGAA
SCHEMBL2064415 0.87 BTK (0.35) BTKKDM4EELANE
SCHEMBL2064459 0.84 HTR6 (0.46) BTKKDM4EALDH1A1L3MBTL1ELANE
SCHEMBL2064496 0.84 ELANE (0.38) KDM4EALDH1A1KMT2AELANECNR1
SCHEMBL2064235 0.81 KDM2B (0.36) BTKKDM4EALDH1A1KMT2AGAA
SCHEMBL2065517 0.71 HTR6 (0.46) —
SCHEMBL2064263 0.71 HTR6 (0.47) KDM4EALDH1A1L3MBTL1
SCHEMBL2063892 0.70 ELANE (0.40) KDM4EKMT2AELANEMEN1
SCHEMBL2064690 0.70 HTR6 (0.46) KDM4EGAAL3MBTL1
SCHEMBL2064304 0.70 HTR6 (0.59) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148394-B2 Azaindoles having serotonin receptor affinity NPS PHARMACEUTICALS, INC. (US) 2012-04-03 — — US claimed
US-20040132734-A1 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2004-07-08 — — US claimed
EP-1204662-B1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP (CA) 2004-06-02 — — EP claimed
EP-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 — — EP claimed
US-20010049441-A1 Azaindoles having serotonin receptor affnity ALLELIX BIOPHARMACEUTICALS, INC. 2001-12-06 — — US claimed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 — — WO claimed
US-6191141-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEN DISORDERS NPS ALLELIX CORP. (CA) 2001-02-20 — — US claimed
US-20120302596-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS PHARMACEUTICALS, INC. (US) 2012-11-29 — — US disclosed
US-8148394-B2 Azaindoles having serotonin receptor affinity NPS PHARMACEUTICALS, INC. (US) 2012-04-03 — — US disclosed
US-20080004307-A1 Azaindoles Having Serotonin Receptor Affinity NPS ALLELIX CORP. (CA) 2008-01-03 — — US disclosed
US-7268127-B2 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP (CA) 2007-09-11 — — US disclosed
US-20050239788-A1 Substituted with pyrrolopiperazine; schizophrenia, psychosis, depression; inhibition of the 5-HT6 receptor NPS ALLELIX CORP. (CA) 2005-10-27 — — US disclosed
US-6916818-B2 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2005-07-12 — — US disclosed
US-20040132734-A1 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2004-07-08 — — US disclosed
EP-1204662-B1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP (CA) 2004-06-02 — — EP disclosed
US-6686374-B1 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2004-02-03 — — US disclosed
EP-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 — — EP disclosed
US-20010049441-A1 Azaindoles having serotonin receptor affnity ALLELIX BIOPHARMACEUTICALS, INC. 2001-12-06 — — US disclosed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 — — WO disclosed
US-6191141-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEN DISORDERS NPS ALLELIX CORP. (CA) 2001-02-20 — — 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 (5 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-20120302596-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY HTR6, DRD2, HTR1A BTK 4598/4885KDM4E 1955/4885ALDH1A1 1003/4885
US-20080004307-A1 Azaindoles Having Serotonin Receptor Affinity HTR6, DRD2, HTR1A BTK 4598/4885KDM4E 1955/4885ALDH1A1 1003/4885
US-20040132734-A1 Azaindoles having serotonin receptor affinity DRD2, HTR3C, HTR2C BTK 4749/4885KDM4E 2479/4885ALDH1A1 1643/4885
US-20010049441-A1 Azaindoles having serotonin receptor affnity DRD2, DRD3, HTR3C BTK 4279/4885KDM4E 2230/4885ALDH1A1 1303/4885
US-20050239788-A1 Substituted with pyrrolopiperazine; schizophrenia, psychosis, depression; inhibition of the 5-HT6 receptor CRHR1, HTR6, HTR1A BTK 4696/4885KDM4E 3549/4885ALDH1A1 2541/4885

“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.