Sugi Predict

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SCHEMBL902137

SCHEMBL902137

CC(C)c1nc2ccnn2c(O)c1Cc1ccc(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 1/20 0.35
▸ CACNA1H O95180 5/20 0.34
▸ CACNA1G O43497 4/20 0.34
▸ CACNA1I Q9P0X4 4/20 0.34
▸ 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
▸ FYN P06241 1/20 0.32
▸ CCNT1 O60563 6/20 0.32
▸ CDK9 P50750 6/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ CCR2 P41597 1/20 0.31
▸ CCR5 P51681 1/20 0.31

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
SCHEMBL15274719 0.91 CRHR1 (0.34) GCGRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL902188 0.90 CCR2 (0.37) CCR2CCR5CDK1CDK2
SCHEMBL902007 0.90 PDE4B (0.37) CCR2CCR5
SCHEMBL902427 0.89 CCNT1 (0.33) GCGRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL902490 0.88 PDE2A (0.37) —
SCHEMBL902571 0.84 CCR2 (0.38) GCGRCCNT1CDK9CDK7CCNH
SCHEMBL901553 0.84 CCR2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL902731 0.83 CCR2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL902240 0.81 CCR2 (0.35) CACNA1HCCR2CCR5CDK2
SCHEMBL902644 0.79 PDE2A (0.35) CCNT1CDK9CCR2CCR5CCNA2

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 GCGR 295/4885CACNA1H 3840/4885CACNA1G 3646/4885

“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.