SCHEMBL1428015

SCHEMBL1428015

OBO.c1ccc(CC2CCNCC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.85
CCR3 P51677 2/20 0.47
SLC6A4 P31645 1/20 0.46
MGLL Q99685 1/20 0.46
SLC18A3 Q16572 1/20 0.44

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
SCHEMBL87612 0.92 GBA1 (1.00) GBA1CCR3SLC6A4SLC18A3
Hydrochloric Acid SCHEMBL4935892 0.90 GBA1 (0.96) GBA1CCR3SLC6A4
Bromide SCHEMBL10728442 0.90 GBA1 (0.96) GBA1CCR3SLC6A4SLC18A3
SCHEMBL28128332 0.87 GBA1 (0.82) GBA1CCR3SLC6A4MGLL
Formaldehyde SCHEMBL28466516 0.87 GBA1 (0.89) GBA1CCR3SLC6A4
SCHEMBL9400535 0.86 GBA1 (0.79) GBA1CCR3
Hydrochloric Acid SCHEMBL28021554 0.86 GBA1 (0.79) GBA1CCR3SLC6A4MGLL
SCHEMBL8891663 0.85 GBA1 (0.85) GBA1CCR3SLC6A4SLC18A3
SCHEMBL8101593 0.84 GBA1 (0.82) GBA1CCR3SLC6A4
Ethylamine SCHEMBL3323945 0.84 GBA1 (0.82) GBA1CCR3SLC6A4

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 9 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-2300475-B1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH INC (US) 2014-11-05 EP 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
EP-2300475-A1 DIAZACARBAZOLES AND METHODS OF USE Genentech, Inc. (US) 2011-03-30 EP disclosed
WO-2009151598-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 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 (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 GBA1 2395/4885CCR3 961/4885SLC6A4 4720/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 GBA1 1879/4885CCR3 431/4885SLC6A4 2228/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 GBA1 1879/4885CCR3 431/4885SLC6A4 2228/4885

“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.