Sugi Predict

Sugi Predict / Compounds / SCHEMBL7874972

SCHEMBL7874972

SCHEMBL7874972

Bc1ccc(OCCCN2CCOCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ SIGMAR1 Q99720 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ SCN1A P35498 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ SCN2A Q99250 1/20 0.51
▸ SCN3A Q9NY46 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP2D6 P10635 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46

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
SCHEMBL6643866 0.83 HRH3 (0.51) HRH3MAPK1SIGMAR1CYP1A2ALDH1A1
SCHEMBL18763469 0.83 HRH3 (0.51) HRH3MAPK1SIGMAR1CYP1A2ALDH1A1
SCHEMBL18810223 0.81 HRH3 (0.49) HRH3MAPK1SIGMAR1CYP1A2ALDH1A1
SCHEMBL1865018 0.78 HRH3 (0.85) HRH3
SCHEMBL6643718 0.78 CYP1A2 (0.59) HRH3MAPK1SIGMAR1CYP1A2ALDH1A1
SCHEMBL14373418 0.77 KDM4E (0.48) HRH3MAPK1SIGMAR1CYP1A2ALDH1A1
SCHEMBL18763481 0.76 HRH3 (0.47) HRH3MAPK1SIGMAR1CYP1A2ALDH1A1
SCHEMBL29769807 0.75 SIGMAR1 (0.48) SIGMAR1ALDH1A1KDM4ETSHR
SCHEMBL3337028 0.75 TSHR (0.56) SIGMAR1ALDH1A1KDM4ETSHR
SCHEMBL55617 0.75 SIGMAR1 (0.48) SIGMAR1ALDH1A1KDM4ETSHR

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-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 — — US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 — — US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 — — US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 — — US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 — — WO disclosed
WO-2010129567-A1 PYRROLO [2, 3. B] PYRIDINES WHICH INHIBIT RAF PROTEIN KINASE PLEXXIKON, INC. (US) 2010-11-11 — — 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF HRH3 2125/4885MAPK1 136/4885SIGMAR1 2803/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 HRH3 3203/4885MAPK1 43/4885SIGMAR1 3841/4885

“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.