Sugi Predict

Sugi Predict / Compounds / SCHEMBL1893679

SCHEMBL1893679

SCHEMBL1893679

FC(F)(F)C1CCCN(Cc2ccc(OBOc3ccc(CN4CCCC(C(F)(F)F)C4)cc3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HRH3 Q9Y5N1 6/20 0.43
▸ GRM2 Q14416 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.39

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
SCHEMBL1428135 0.82 HRH3 (0.59) HRH3KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL16215685 0.81 SIGMAR1 (0.50) GAAMEN1KMT2AALDH1A1BCHE
SCHEMBL12665918 0.77 GAA (0.50) GAAMEN1KMT2AGRM2KDM4E
SCHEMBL1427528 0.75 HRH3 (0.67) HRH3KDM4EALDH1A1ACHECYP2D6
SCHEMBL18998097 0.73 MEN1 (0.63) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL2233651 0.73 GRM2 (0.45) GAAMEN1KMT2AGRM2CNR2
SCHEMBL2233644 0.73 MEN1 (0.43) GAAMEN1KMT2AGRM2ALDH1A1
SCHEMBL3702351 0.71 OPRM1 (0.59) HRH3GRM2
SCHEMBL3693897 0.71 KDM4E (0.56) MEN1KMT2AHRH3KDM4E
SCHEMBL3444707 0.69 HTR7 (0.48) GAAMEN1KMT2AHRH3KDM4E

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-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 — — US disclosed
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2015-03-26 — — US disclosed
EP-2706059-A1 Diazacarbazoles and methods of use Genentech, Inc. (US) 2014-03-12 — — EP disclosed
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2013-10-03 — — US disclosed
US-8501765-B2 Diazacarbazoles and methods of use GENENTECH, INC. (US) 2013-08-06 — — US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 — — 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 (3 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-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B GAA 1696/4885MEN1 945/4885KMT2A 2123/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 GAA 1459/4885MEN1 656/4885KMT2A 1607/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 GAA 1459/4885MEN1 656/4885KMT2A 1607/4885

“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.