SCHEMBL2558372

SCHEMBL2558372

OB(O)c1ccc(CN2CCC(F)(F)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
GRM2 Q14416 1/20 0.40
JAK2 O60674 1/20 0.40
LPL P06858 2/20 0.38
LIPG Q9Y5X9 2/20 0.38
BACE1 P56817 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
TLR7 Q9NYK1 2/20 0.37
F11 P03951 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
OPRL1 P41146 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL29127457 0.90 HRH3 (0.48) HRH3JAK2LPLLIPGF11
SCHEMBL28885908 0.82 GRM2 (0.45) HRH3GRM2JAK2KDM1AMAOB
SCHEMBL2557426 0.81 KDM1A (0.43) LPLLIPGKDM1AMAOBRCOR1
SCHEMBL24522243 0.79 SIGMAR1 (0.46) HRH3GRM2JAK2KDM1AMAOB
SCHEMBL25181316 0.79 PRMT6 (0.45) HRH3GRM2JAK2BACE1TLR7
SCHEMBL3400443 0.79 ALDH1A1 (0.53) HRH3GRM2JAK2BACE1TLR7
SCHEMBL12176281 0.79 ALDH1A1 (0.51) HRH3POLB
SCHEMBL3992623 0.78 CYP3A4 (0.56) OPRL1POLB
SCHEMBL2556118 0.78 LTA4H (0.45) HRH3LPLLIPGF11OPRL1
Hydrochloric Acid SCHEMBL25412712 0.77 CYP3A4 (0.54) OPRL1POLB

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-9216980-B2 Methods of use of diazacarbazoles for treating cancer GENENTECH, INC. (US) 2015-12-22 US disclosed
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
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-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER GENENTECH, INC. (US) 2013-10-03 US 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-8501765-B2 Diazacarbazoles and methods of use GENENTECH, INC. (US) 2013-08-06 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US disclosed
US-20110118230-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. 2011-05-19 US 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 HRH3 1289/4885GRM2 4301/4885JAK2 776/4885
US-20150087630-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 HRH3 690/4885GRM2 1508/4885JAK2 864/4885
US-20130261104-A1 METHODS OF USE OF DIAZACARBAZOLES FOR TREATING CANCER IDH3B, IDH3A, EGLN3 HRH3 690/4885GRM2 1508/4885JAK2 864/4885

“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.