Sugi Predict

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SCHEMBL584020

SCHEMBL584020

Nc1c(Cl)c(N2CCNCC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ ACVR1 Q04771 6/20 0.40
▸ BMPR1B O00238 4/20 0.40
▸ BMPR1A P36894 4/20 0.40
▸ ACVR1B P36896 4/20 0.40
▸ ACVRL1 P37023 3/20 0.40
▸ MTOR P42345 1/20 0.39
▸ NISCH Q9Y2I1 1/20 0.38
▸ NCF1 P14598 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL6894944 0.83 CDK8 (0.42) —
SCHEMBL6893490 0.80 CRBN (0.42) —
SCHEMBL6891825 0.80 BRD4 (0.37) MTORNISCHMEN1KMT2ANPC1
SCHEMBL595712 0.80 NPC1 (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6894421 0.79 BRD4 (0.40) MTORMEN1KMT2ANPC1RAB9A
SCHEMBL2679509 0.79 HTR6 (0.42) PIM1PIM2NISCHMEN1KMT2A
SCHEMBL10280214 0.79 PARP10 (0.40) CHRNB2CHRNA4PIM1PIM2MTOR
SCHEMBL6896831 0.78 BRD4 (0.35) NISCHMEN1KMT2ANPC1RAB9A
SCHEMBL7886529 0.78 NPC1 (0.37) PIM1PIM2MTORMEN1KMT2A
SCHEMBL2679803 0.77 PARP10 (0.39) CHRNB2CHRNA4PIM1PIM2MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 — — EP disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — WO disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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 (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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CHRNB2 4875/4885CHRNA4 4836/4885PIM1 255/4885

“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.