SCHEMBL7681398

SCHEMBL7681398

C=CCNc1nc(NCC)c2scc(C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.40
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
FLT3 P36888 1/20 0.34
PRKCD Q05655 1/20 0.34
CAMK2B Q13554 1/20 0.34
CAMK2G Q13555 1/20 0.34
CAMK2D Q13557 1/20 0.34
MAPT P10636 5/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
HTT P42858 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 1/20 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 0.93 PRKCI (0.42) PRKCIALDH1A1MEN1KMT2AGAA
SCHEMBL7688013 0.87 SLC29A1 (0.43) PRKCIMEN1KMT2AGAACYP1A2
SCHEMBL7681312 0.87 PRKCI (0.41) PRKCIALDH1A1MEN1KMT2AGAA
SCHEMBL7678778 0.86 PRKCI (0.41) PRKCIALDH1A1MEN1KMT2AGAA
SCHEMBL7687988 0.86 PRKCI (0.38) PRKCIALDH1A1MEN1KMT2AGAA
SCHEMBL7682019 0.86 PRKCI (0.38) PRKCIALDH1A1MEN1KMT2AGAA
SCHEMBL7687758 0.86 PRKCI (0.38) PRKCIALDH1A1MEN1KMT2AGAA
SCHEMBL7685780 0.85 PRKCI (0.41) PRKCIALDH1A1MEN1KMT2AGAA
SCHEMBL7685868 0.85 PRKCI (0.41) PRKCIALDH1A1MEN1KMT2AGAA
SCHEMBL7688049 0.85 PRKCI (0.41) PRKCIALDH1A1MEN1KMT2AGAA

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 PRKCI 2876/4885ALDH1A1 1631/4885MEN1 2963/4885

“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.