Sugi Predict

Sugi Predict / Compounds / SCHEMBL401684

SCHEMBL401684

SCHEMBL401684

O=C(Nc1ccccc1)c1cnn2ccc(NCCc3ccccc3)nc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.67
▸ PIM3 Q86V86 1/20 0.67
▸ PIM2 Q9P1W9 1/20 0.67
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ IRAK4 Q9NWZ3 8/20 0.49
▸ NTRK1 P04629 3/20 0.47
▸ GAA P10253 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL405871 0.89 PIM1 (0.54) PIM1PIM3PIM2HTTIRAK4
SCHEMBL406018 0.89 PIM1 (0.54) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL405250 0.85 IRAK4 (0.50) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL403237 0.83 RET (0.58) PIM1PIM3PIM2HTTKDM4E
SCHEMBL402227 0.83 JAK2 (0.53) PIM1PIM3PIM2HTTIRAK4
SCHEMBL405544 0.83 NTRK1 (0.54) PIM1PIM3PIM2IRAK4NTRK1
SCHEMBL401683 0.83 NTRK1 (0.59) PIM1PIM3PIM2IRAK4NTRK1
SCHEMBL403483 0.82 RET (0.50) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL16460388 0.82 SMN1; SMN2 (0.48) PIM1PIM3PIM2MEN1KMT2A
SCHEMBL404615 0.82 NTRK1 (0.54) PIM1PIM3PIM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-08-25 — — US disclosed
EP-2962566-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2016-01-06 — — EP disclosed
EP-2348860-B1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH INC (US) 2015-05-27 — — EP disclosed
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2014-04-17 — — US disclosed
US-8637526-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2014-01-28 — — US disclosed
US-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 — — 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 (3 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PIM1 181/4885PIM3 291/4885PIM2 114/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PIM1 181/4885PIM3 291/4885PIM2 114/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 PIM1 181/4885PIM3 291/4885PIM2 114/4885

“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.