SCHEMBL2086928

SCHEMBL2086928

Nc1ccc(Nc2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 1.00
MAPT P10636 6/20 0.65
POLB P06746 1/20 0.65
ALDH1A1 P00352 3/20 0.58
HTT P42858 2/20 0.58
CYP3A4 P08684 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX12 P18054 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP2D6 P10635 1/20 0.57
CHRM1 P11229 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
KCNA1 Q09470 1/20 0.57

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
SCHEMBL19494275 0.85 RAD52 (0.74) RAD52MAPTPOLBALDH1A1HTT
SCHEMBL20605384 0.84 RAD52 (0.71) RAD52MAPTPOLBALDH1A1HTT
SCHEMBL725063 0.84 RAD52 (0.70) RAD52MAPTPOLBALDH1A1L3MBTL1
SCHEMBL5438258 0.84 MAPT (0.78) RAD52MAPTPOLBALDH1A1HTT
SCHEMBL12747008 0.84 MAPT (0.78) RAD52MAPTPOLBALDH1A1HTT
SCHEMBL33864 0.84 MAPT (0.78) RAD52MAPTPOLBALDH1A1HTT
SCHEMBL29479572 0.84 MAPT (0.78) RAD52MAPTPOLBALDH1A1HTT
SCHEMBL5428343 0.84 MAPT (0.78) RAD52MAPTPOLBALDH1A1HTT
SCHEMBL18289620 0.84 MAPT (0.78) RAD52MAPTPOLBALDH1A1HTT
SCHEMBL1459001 0.81 MAPT (0.74) RAD52MAPTPOLBALDH1A1HTT

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329288-B2 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2008-02-12 US claimed
US-20060005323-A1 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2006-01-12 US claimed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP claimed
US-12194031-B2 Compounds for use in regulating follicle maturation AARHUS UNIVERSITET (DK) 2025-01-14 US disclosed
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS SAINT LOUIS UNIVERSITY (US) 2024-04-11 US disclosed
US-20230285375-A1 COMPOUNDS FOR USE IN REGULATING FOLLICLE MATURATION AARHUS UNIVERSITET (DK) 2023-09-14 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-11666561-B2 Compounds for use in regulating follicle maturation AARHUS UNIVERSITET (DK) 2023-06-06 US disclosed
WO-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2023081845-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 WO disclosed
WO-2006032631-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-30 WO disclosed
US-20060005323-A1 N-heteroaryl secondary para-phenylenediamine, a dye composition comprising such a para-phenylenediamine, a process for preparing this composition and use thereof L'OREAL S.A. (FR) 2006-01-12 US disclosed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP disclosed
EP-1568694-A1 N-heteroaryl-para-phenylene diamines for colouring hair L'OREAL (FR) 2005-08-31 EP disclosed
CN-1544420-A Inhibition of raf kinase using substituted heterocyclic ureas 2004-11-10 CN disclosed
US-5665746-A BACTERICIDE HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US disclosed
US-5594135-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1997-01-14 US disclosed
US-5589473-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1996-12-31 US disclosed
EP-0675122-A2 Mono or bicyclic DNA gyrase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1995-10-04 EP 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR RAD52 4416/4885MAPT 3999/4885POLB 2609/4885
US-20240116857-A1 QUATERNARY AMMONIUM COMPOUNDS AS ANTIMICROBIALS ABCC1, ARG1, SLC11A2 RAD52 3181/4885MAPT 3344/4885POLB 1009/4885

“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.