SCHEMBL7678985

SCHEMBL7678985

C=CCNC(=O)CCNc1nc(NCC=C)nc2c(C)csc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.39
HPGD P15428 6/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
RAB9A P51151 1/20 0.34
FAAH O00519 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PIK3CG P48736 1/20 0.33
GAA P10253 2/20 0.32
GLA P06280 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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 0.83 PRKCI (0.42) PRKCIMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL7681529 0.83 GAA (0.40) PRKCIHPGDHTTMAPTSMN1; SMN2
SCHEMBL7688013 0.81 SLC29A1 (0.43) PRKCIMAPTHSD17B10KMT2AKDM4E
SCHEMBL7686103 0.80 LCK (0.36) HTTMAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7681398 0.80 PRKCI (0.40) PRKCIHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL7678778 0.80 PRKCI (0.41) PRKCIMAPTALDH1A1RAB9AKMT2A
SCHEMBL7682019 0.79 PRKCI (0.38) PRKCIHPGDHTTMAPTSMN1; SMN2
SCHEMBL7685780 0.79 PRKCI (0.41) PRKCIMAPTALDH1A1RAB9AKMT2A
SCHEMBL7685868 0.79 PRKCI (0.41) PRKCIMAPTALDH1A1RAB9AKMT2A
SCHEMBL7688049 0.79 PRKCI (0.41) PRKCIMAPTALDH1A1RAB9AKMT2A

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 2876/4885HPGD 419/4885HTT 4733/4885

“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.