SCHEMBL438327

SCHEMBL438327

NNc1nc2cc(Cl)ccc2nc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
IDO1 P14902 1/20 0.45
NPC1 O15118 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
PIM1 P11309 1/20 0.39

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
SCHEMBL14764522 0.82 ALDH1A1 (0.54) PIK3CGALDH1A1MAPTKDM4EMEN1
SCHEMBL12502826 0.82 ALDH1A1 (0.54) PIK3CGALDH1A1MAPTKDM4EMEN1
SCHEMBL437073 0.82 NQO2 (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL23234459 0.82 HTT (0.43) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL10846446 0.82 RXFP1 (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10846397 0.80 PGK1 (0.44) PIM1PGK1DYRK1A
SCHEMBL462643 0.80 TDP1 (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL404069 0.80 TDP1 (0.55) PIK3CGALDH1A1MAPTKDM4EMEN1
SCHEMBL29581162 0.80 TDP1 (0.55) PIK3CGALDH1A1MAPTKDM4EMEN1
SCHEMBL7350739 0.78 HRH4 (0.50) PIK3CGALDH1A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 WO disclosed
US-5559106-A Heterocyclic compounds, their use and preparation NOVO NORDISK A/S (DK) 1996-09-24 US disclosed
US-5504085-A TREATING ISCHEMIA, ANOXIA, HYPOGLYCEMIA AND HEAD, SPINAL CORD TRAUMA NOVO NORDISK A/S (DK) 1996-04-02 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

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 PIK3CG 4151/4885ALDH1A1 1909/4885MAPT 2336/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PIK3CG 4151/4885ALDH1A1 1909/4885MAPT 2336/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PIK3CG 4151/4885ALDH1A1 1909/4885MAPT 2336/4885

“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.