Sugi Predict

Sugi Predict / Compounds / SCHEMBL902390

SCHEMBL902390

SCHEMBL902390

COCc1nc2ccnn2c(O)c1Cc1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.35
▸ ENPP1 P22413 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL902629 0.89 APLNR (0.35) PDE10AENPP1ALDH1A1ALOX5PRKAB2
SCHEMBL902589 0.88 PDE10A (0.38) PDE10AENPP1ALDH1A1PRKAB2PRKAG1
SCHEMBL902398 0.87 PRKAB2 (0.34) PDE10AALDH1A1PRKAB2PRKAG1PRKAA2
SCHEMBL15261556 0.86 PRKAB2 (0.37) PDE10AENPP1ALDH1A1PRKAB2PRKAG1
SCHEMBL901951 0.85 PDE4B (0.36) PDE10APRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL902910 0.84 NPC1 (0.40) ENPP2KDM4ESMN1; SMN2LMNAKCNN3
SCHEMBL15274696 0.82 ALDH1A1 (0.36) PDE10AENPP1ALDH1A1ENPP2PKM
SCHEMBL902316 0.81 ENPP2 (0.47) PDE10AENPP1ALDH1A1ENPP2PKM
SCHEMBL902441 0.80 MAPT (0.42) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL902369 0.79 PDE4B (0.40) ALDH1A1MAPTLMNAKDM5AKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 — — US disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 — — US disclosed
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 — — US disclosed
EP-2621928-A1 7-HYDROXY-PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS Proximagen Limited (GB) 2013-08-07 — — EP disclosed
WO-2012041817-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LTD (GB) 2012-04-05 — — WO 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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR5, CCR1 PDE10A 1877/4885ENPP1 2434/4885ALDH1A1 441/4885

“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.