SCHEMBL5044053

SCHEMBL5044053

N#CN=C(NCCc1ccccc1Cl)c1cncc(N)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.39
P2RX7 Q99572 6/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
KMT2A Q03164 1/20 0.36
CNR1 P21554 1/20 0.36
ROCK2 O75116 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TP53 P04637 1/20 0.36
ROCK1 Q13464 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 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
SCHEMBL5044056 1.00 HIF1A (0.39) HIF1AP2RX7SCN2ASCN10AKMT2A
SCHEMBL8750824 0.88 HIF1A (0.40) HIF1AP2RX7SCN2ASCN10AKMT2A
SCHEMBL8750839 0.87 P2RX7 (0.41) HIF1AP2RX7SCN2ASCN10AKMT2A
SCHEMBL8750762 0.86 HIF1A (0.46) HIF1AP2RX7SCN2ASCN10AKMT2A
SCHEMBL8750780 0.86 HIF1A (0.39) HIF1AP2RX7SCN2ASCN10AKMT2A
SCHEMBL8750783 0.85 P2RX7 (0.38) HIF1AP2RX7SCN2ASCN10AKMT2A
SCHEMBL8750759 0.84 KDM4E (0.41) HIF1AP2RX7SCN2ASCN10AKMT2A
SCHEMBL8750825 0.83 P2RX7 (0.41) HIF1AP2RX7SCN2ASCN10AKMT2A
SCHEMBL8750822 0.83 P2RX7 (0.37) HIF1AP2RX7SCN2ASCN10AKMT2A
SCHEMBL8750753 0.83 P2RX7 (0.48) HIF1AP2RX7KMT2ACNR1ROCK2

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
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-0956866-A1 DRUGS FOR AMELIORATING OPHTHALMIC CIRCULATORY DISTURBANCE KIRIN BEER KABUSHIKI KAISHA (JP) 1999-11-17 EP claimed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP claimed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US claimed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 EP claimed
JP-8165239-A None JP disclosed
EP-1663239-A4 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS SINAI MEDICAL CENTER (US) 2008-07-23 EP disclosed
EP-1663239-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2006-06-07 EP disclosed
US-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier CEDARS-SINAI MEDICAL CENTER 2005-04-28 US disclosed
WO-2005025511-A2 POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER CEDARS-SINAI MEDICAL CENTER (US) 2005-03-24 WO disclosed
EP-0956866-A1 DRUGS FOR AMELIORATING OPHTHALMIC CIRCULATORY DISTURBANCE KIRIN BEER KABUSHIKI KAISHA (JP) 1999-11-17 EP disclosed
WO-1998035673-A1 DRUGS FOR RELIEVING PERIPHERAL CIRCULATION DISORDER KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-20 WO disclosed
EP-0634400-B1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BREWERY (JP) 1997-04-02 EP disclosed
JP-H08165239-A ANTI-ARTERIOSCLEROTIC AGENT KIRIN BREWERY CO LTD 1996-06-25 JP disclosed
US-5508293-A TREATING HYPERTENSION, ANGINA PECTORIS KIRIN BEER KABUSHIKI KAISHA (JP) 1996-04-16 US disclosed
EP-0634400-A1 PYRIDINECARBOXIMIDAMIDE COMPOUND AND USE THEREOF KIRIN BEER KABUSHIKI KAISHA (JP) 1995-01-18 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 (1 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-20050089473-A1 Potassium channel mediated delivery of agents through the blood-brain barrier KCNN2, KCNN1, KCNN3 HIF1A 387/4885P2RX7 411/4885SCN2A 85/4885

“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.