SCHEMBL404496

SCHEMBL404496

Clc1nc2ccccc2n2cnnc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.60
HPGD P15428 3/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
CREBBP Q92793 1/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAOA P21397 2/20 0.57
MAOB P27338 1/20 0.57
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HRH4 Q9H3N8 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL405269 0.80 HRH4 (0.60) HPGDSMN1; SMN2HSD17B10KDM4EMAPT
SCHEMBL10847492 0.80 MAPT (0.47) SMN1; SMN2MAPTHRH4TP53RXFP1
SCHEMBL1629877 0.79 TOP2A (0.60) TOP2AHPGDALOX15TSHRCREBBP
SCHEMBL38665457 0.79 TOP2A (0.60) TOP2AHPGDALOX15TSHRCREBBP
SCHEMBL12502707 0.79 TOP2A (0.65) TOP2AHPGDALOX15TSHRCREBBP
SCHEMBL30973175 0.78 KMT2A (0.45) SMN1; SMN2MAPTHRH4TP53POLB
SCHEMBL10845578 0.78 HCRTR1 (0.46) HPGDKDM4ETP53RXFP1POLB
SCHEMBL10847128 0.78 KMT2A (0.51) MAPTHRH4TP53RXFP1POLB
SCHEMBL404180 0.78 KMT2A (0.64) MAPK1SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL10845572 0.77 TSHR (0.73) TOP2AHPGDALOX15TSHRCREBBP

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4008322-A RICE BLAST ELI LILLY AND COMPANY (US) 1977-02-15 US claimed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-6451796-B1 Fused pyrazine compounds ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-17 US disclosed
EP-1050535-A1 FUSED PYRAZINE COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2000-11-08 EP disclosed
US-4780464-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-25 US disclosed
US-4623725-A [1,2,4]Triazolo[4,3-a]quinoxaline-4-amine derivatives PFIZER INC. (US) 1986-11-18 US disclosed
EP-0107455-B1 TRIAZOLOQUINOXALINES AS ANTIDEPRESSANTS AND ANTIFATIGUE AGENTS PFIZER INC. (US) 1986-07-09 EP disclosed
US-4547501-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-10-15 US disclosed
US-4495187-A Method of using [1,2,4]triazolo[4,3-a]quinoxaline-4-amine derivatives as antidepressant and antifatigue agents PFIZER INC. (US) 1985-01-22 US disclosed
EP-0107455-A1 Triazoloquinoxalines as antidepressants and antifatigue agents PFIZER INC. (US) 1984-05-02 EP disclosed
US-4008322-A RICE BLAST ELI LILLY AND COMPANY (US) 1977-02-15 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TOP2A 4275/4885HPGD 252/4885ALOX15 1101/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TOP2A 4275/4885HPGD 252/4885ALOX15 1101/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 TOP2A 4275/4885HPGD 252/4885ALOX15 1101/4885

“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.