Sugi Predict

Sugi Predict / Compounds / SCHEMBL3764974

SCHEMBL3764974

SCHEMBL3764974

Cn1cc(-c2cnc3c(-c4cccc(C(=O)NC5CCC(F)(F)C5)c4)cnn3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARK3 P27448 14/20 0.49
▸ GSK3B P49841 5/20 0.47
▸ DYRK1A Q13627 5/20 0.47
▸ IRAK1 P51617 3/20 0.46
▸ IRAK4 Q9NWZ3 3/20 0.46
▸ SGK1 O00141 2/20 0.46
▸ PIK3CD O00329 2/20 0.46
▸ CHEK1 O14757 2/20 0.46
▸ MAPK13 O15264 2/20 0.46
▸ PDPK1 O15530 2/20 0.46
▸ NUAK1 O60285 2/20 0.46
▸ CCNT1 O60563 2/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ ROCK2 O75116 2/20 0.46
▸ CHEK2 O96017 2/20 0.46
▸ EGFR P00533 2/20 0.46
▸ RAF1 P04049 2/20 0.46
▸ NTRK1 P04629 2/20 0.46
▸ LCK P06239 2/20 0.46
▸ CSF1R P07333 2/20 0.46

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
SCHEMBL3756759 0.90 MARK3 (0.52) MARK3GSK3BDYRK1AIRAK1IRAK4
SCHEMBL3769316 0.87 MARK3 (0.55) MARK3GSK3BDYRK1AIRAK1IRAK4
SCHEMBL3761676 0.87 MARK3 (0.55) MARK3GSK3BDYRK1AIRAK1IRAK4
SCHEMBL3761736 0.83 MARK3 (0.67) MARK3GSK3BDYRK1AIRAK1IRAK4
SCHEMBL3765954 0.80 MARK3 (0.70) MARK3GSK3BDYRK1AIRAK1IRAK4
SCHEMBL3762670 0.80 MARK3 (0.70) MARK3GSK3BDYRK1AIRAK1IRAK4
SCHEMBL3759268 0.80 MARK3 (0.52) MARK3GSK3BDYRK1AIRAK1IRAK4
SCHEMBL3760390 0.80 MARK3 (0.55) MARK3GSK3BDYRK1AIRAK1IRAK4
SCHEMBL3758752 0.78 MARK3 (0.56) MARK3GSK3BDYRK1AIRAK1IRAK4
SCHEMBL3762618 0.77 CCNC (0.58) MARK3GSK3BDYRK1AIRAK1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-8461162-B2 Pyrazolo[1,5-a]pyrimidine derivatives MERCK SHARP & DOHME CORP. (US) 2013-06-11 — — US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 — — US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 — — US disclosed
US-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME LLC 2010-12-02 — — US disclosed
WO-2009014620-A1 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES MERCK & CO., INC. (US) 2009-01-29 — — 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-20100305091-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES MAPT, TTBK1, TTBK2 MARK3 12/4885GSK3B 245/4885DYRK1A 506/4885

“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.