SCHEMBL4878728

SCHEMBL4878728

CNc1ccnc2ccnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
CCNT1 O60563 9/20 0.35
CDK9 P50750 9/20 0.35
CDK7 P50613 3/20 0.35
CCNH P51946 3/20 0.35
DGAT1 O75907 3/20 0.34
KCNN3 Q9UGI6 4/20 0.34
DPP4 P27487 1/20 0.34
KCNN1 Q92952 1/20 0.33
KCNN2 Q9H2S1 1/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
PDE10A Q9Y233 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 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
SCHEMBL20484514 0.80 DGAT1 (0.36) PIK3CDPIK3R1CCNT1CDK9CDK7
SCHEMBL14564413 0.79 KCNN3 (0.40) PIK3CDPIK3R1CCNT1CDK9CDK7
SCHEMBL2034177 0.74 CDK9 (0.52) CCNT1CDK9CDK7CCNHCDK4
SCHEMBL18878995 0.73 MKNK1 (0.49) DGAT1
SCHEMBL4572140 0.72 DGAT1 (0.37) DGAT1DPP4PDE10A
SCHEMBL13769278 0.72 PDE2A (0.46) CCNT1CDK9CDK7CCNHKCNN3
SCHEMBL22971391 0.71 KCNH2 (0.38) DPP4
SCHEMBL18879006 0.71 DGAT1 (0.33) DGAT1PDE10A
SCHEMBL1537948 0.71 ALDH1A1 (0.45) PDE10A
SCHEMBL14158199 0.71 PDE10A (0.61) CCNT1CDK9CDK7CCNHKCNN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4103279-A1 SUBSTITUTED 7-(METHYLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE DERIVATIVES Eli Lilly and Company (US) 2022-12-21 EP disclosed
EP-3140296-B1 PYRROLIDINE GPR40 MODULATORS FOR THE TREATMENT OF DISEASES SUCH AS DIABETES BRISTOL MYERS SQUIBB CO (US) 2018-04-11 EP disclosed
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS EFFECTOR THERAPEUTICS, INC. 2017-05-25 US disclosed
WO-2007103432-A9 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2008-01-10 WO disclosed
US-20060270659-A1 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2006-11-30 US disclosed
EP-0880523-B1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES INC (US) 2006-08-16 EP disclosed
US-7074797-B2 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2006-07-11 US disclosed
US-20040127483-A1 Pyrazolopyrimidines as CRF receptor antagonists NEUROCRINE BIOSCIENCES, INC. (US) 2004-07-01 US disclosed
US-6664261-B2 Endocrine, psychiatric and neurologic disorders from hypersecretion of corticotropin-releasing factor NEUROCRINE BIOSCIENCES, INC. 2003-12-16 US disclosed
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. 2003-07-03 US disclosed
EP-0880523-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-02 EP disclosed
WO-1997029109-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-08-14 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 (4 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-20040127483-A1 Pyrazolopyrimidines as CRF receptor antagonists CRHR1, CRHR2, CRH PIK3CD 1660/4885PIK3R1 1381/4885CCNT1 1317/4885
US-20060270659-A1 Pyrazolopyrimidines as CRF receptor antagonists HTR5A, OPRL1, CRHR1 PIK3CD 1622/4885PIK3R1 2464/4885CCNT1 1603/4885
US-20030125341-A1 PYRAZOLOPYRIMIDINES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, OPRL1 PIK3CD 2184/4885PIK3R1 1691/4885CCNT1 1023/4885
US-20170145009-A1 HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS MAP3K9, MAP3K19, MAP3K20 PIK3CD 807/4885PIK3R1 559/4885CCNT1 434/4885

“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.