SCHEMBL394896

SCHEMBL394896

O=[N+]([O-])c1cc2c(cc1Br)CCN2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
ALDH1A1 P00352 3/20 1.00
PKM P14618 1/20 0.38
TYMS P04818 1/20 0.38
MAPK1 P28482 3/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2B P41595 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
CYP3A4 P08684 1/20 0.35
RYR1 P21817 2/20 0.34
FKBP1A P62942 2/20 0.34
ADRA2A P08913 1/20 0.34
PNMT P11086 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD3 P35462 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL31110031 0.90 MAPT (0.82) MAPTALDH1A1PKMTYMSMAPK1
SCHEMBL29502218 0.84 MAPT (0.72) MAPTALDH1A1PKMTYMSMAPK1
SCHEMBL22835901 0.84 MAPT (0.72) MAPTALDH1A1PKMTYMSMAPK1
Quinoline SCHEMBL28055899 0.83 ALDH1A1 (0.68) MAPTALDH1A1TYMSCYP1A2SMN1; SMN2
SCHEMBL2206444 0.80 ALDH1A1 (0.67) MAPTALDH1A1DRD2DRD4HTR2B
SCHEMBL2267850 0.80 MAPT (0.67) MAPTALDH1A1DRD2DRD4CYP3A4
SCHEMBL1746106 0.80 ALDH1A1 (0.67) MAPTALDH1A1MAPK1DRD2DRD4
SCHEMBL28899149 0.80 ALDH1A1 (0.66) MAPTALDH1A1TYMS
Hydrochloric Acid SCHEMBL10848491 0.79 MAPT (0.65) MAPTALDH1A1DRD2DRD4CYP3A4
SCHEMBL393596 0.78 ALDH1A1 (0.63) MAPTALDH1A1MAPK1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250235543-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2025-07-24 US disclosed
US-20240228458-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME THERAPEX CO., LTD. (KR) 2024-07-11 US disclosed
EP-4286376-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME Therapex Co., Ltd. (KR) 2023-12-06 EP disclosed
CN-117120424-A Pyrimidine derivatives having protein kinase inhibitory activity and therapeutic combinations comprising the same 泰拉佩克斯有限公司 2023-11-24 CN disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
WO-2023061440-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2023-04-20 WO disclosed
EP-4125874-A1 LIPOXYGENASE INHIBITORS SRI International (US) 2023-02-08 EP disclosed
WO-2022211573-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 테라펙스 2022-10-06 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO disclosed
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
CN-85108623-A Preparation has the novel method of the heterocycleamide of medical active 1986-07-30 CN disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 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 (5 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-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 MAPT 2798/4885ALDH1A1 52/4885PKM 275/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 MAPT 1601/4885ALDH1A1 133/4885PKM 1506/4885
US-20240228458-A1 PYRIMIDINE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND THERAPEUTIC PHARMACEUTICAL COMPOSITION COMPRISING SAME EGFR, ERBB2, ERBB3 MAPT 2778/4885ALDH1A1 4111/4885PKM 2510/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 MAPT 4847/4885ALDH1A1 2221/4885PKM 3024/4885
US-20250235543-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, TP53BP1 MAPT 2382/4885ALDH1A1 2239/4885PKM 2900/4885

“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.