SCHEMBL7681267

SCHEMBL7681267

C=CCNc1nc(NN2CCCCC2)c2scc(C)c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.36
GBA1 P04062 1/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PRKCI P41743 3/20 0.33
ALDH1A1 P00352 2/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
GAA P10253 1/20 0.33
ADORA2A P29274 2/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
ADORA2B P29275 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 2/20 0.32
PDE4B Q07343 2/20 0.32

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
SCHEMBL7687480 0.83 PRKCI (0.42) SMN1; SMN2NPC1MEN1KMT2APRKCI
SCHEMBL7685320 0.81 ADORA2A (0.40) SMN1; SMN2POLBGBA1NPC1MEN1
SCHEMBL7685186 0.80 PRKCI (0.40) PRKCIJAK2JAK3GAAADORA2A
SCHEMBL7681398 0.79 PRKCI (0.40) SMN1; SMN2NPC1MEN1KMT2APRKCI
Hydrochloric Acid SCHEMBL7677129 0.79 PDE4B (0.45) SMN1; SMN2PRKCIADORA2ALPAR1LPAR2
SCHEMBL7685374 0.78 PRKCI (0.43) PRKCIGAAADORA2ALPAR1LPAR2
SCHEMBL7679407 0.77 PRKCI (0.36) SMN1; SMN2NPC1MEN1KMT2APRKCI
SCHEMBL7679226 0.77 PRKCI (0.36) SMN1; SMN2NPC1MEN1KMT2APRKCI
SCHEMBL7677194 0.77 SMN1; SMN2 (0.43) SMN1; SMN2NPC1PKMPRKCIADORA2A
SCHEMBL7682019 0.76 PRKCI (0.38) SMN1; SMN2MEN1KMT2APRKCIALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339089-B2 ANTIHYPOXIC AGENTS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE; VASOCONSTRICTION; REDUCES BLOOD PARTIAL PRESSURE OF CARBON DIOXIDE; RESPIRATORY DISORDERS; UNDER OXYGEN INHALATION TREATMENT FUJIREBIO INC. (JP) 2002-01-15 US disclosed
US-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME FUJIREBIO INC. (FUJIREBIO KABUSHIKI KAISHA) (JP) 2001-07-05 US disclosed
EP-0899263-A2 Fused pyrimidine derivatives and medicaments thereof for a blood oxygen partial pressure amelioration Fujirebio Inc. (JP) 1999-03-03 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-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME CYP11B2, CYP11B1, OAT SMN1; SMN2 2359/4885POLB 223/4885GBA1 3937/4885

“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.