SCHEMBL12997669

SCHEMBL12997669

NC(=O)c1cc(-c2cnn3cc(-c4cn[nH]c4)cnc23)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARK3 P27448 15/20 0.69
▸ KDR P35968 5/20 0.50
▸ PRKAB1 Q9Y478 5/20 0.50
▸ BMPR1B O00238 3/20 0.50
▸ BMPR1A P36894 3/20 0.50
▸ ACVRL1 P37023 3/20 0.50
▸ TGFBR2 P37173 3/20 0.50
▸ ACVR1 Q04771 3/20 0.50
▸ BMPR2 Q13873 3/20 0.50
▸ ACVR1B P36896 4/20 0.48
▸ SGK1 O00141 2/20 0.48
▸ PIK3CD O00329 2/20 0.48
▸ CHEK1 O14757 2/20 0.48
▸ MAPK13 O15264 2/20 0.48
▸ PDPK1 O15530 2/20 0.48
▸ NUAK1 O60285 2/20 0.48
▸ CCNT1 O60563 2/20 0.48
▸ JAK2 O60674 2/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ CHEK2 O96017 2/20 0.48

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
SCHEMBL12997653 0.85 MARK3 (0.68) MARK3KDRPRKAB1ACVR1BSGK1
SCHEMBL12997777 0.85 MARK3 (0.61) MARK3KDRPRKAB1BMPR1BBMPR1A
SCHEMBL12997652 0.84 MARK3 (0.70) MARK3KDRPRKAB1ACVR1BSGK1
SCHEMBL12997663 0.83 MARK3 (0.77) MARK3KDRPRKAB1ACVR1BSGK1
SCHEMBL12997649 0.83 MARK3 (0.69) MARK3KDRPRKAB1ACVR1BSGK1
SCHEMBL3767648 0.83 MARK3 (0.73) MARK3KDRPRKAB1ACVR1BSGK1
SCHEMBL12997736 0.82 MARK3 (0.62) MARK3KDRPRKAB1BMPR1BBMPR1A
SCHEMBL3760412 0.82 MARK3 (1.00) MARK3KDRPRKAB1ACVR1BSGK1
SCHEMBL12997662 0.82 MARK3 (0.75) MARK3KDRPRKAB1ACVR1BSGK1
SCHEMBL12997737 0.82 MARK3 (0.62) MARK3KDRPRKAB1BMPR1BBMPR1A

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-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

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 12/4885KDR 3278/4885PRKAB1 450/4885

“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.

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