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SCHEMBL401205

SCHEMBL401205

CN(c1cccnc1)c1ccn2ncc(C(=O)NCC3CCC(CN)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ IRAK4 Q9NWZ3 6/20 0.42
▸ IRAK1 P51617 3/20 0.42
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ SYK P43405 1/20 0.38
▸ NAPEPLD Q6IQ20 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PBK Q96KB5 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
SCHEMBL406886 0.93 NTRK1 (0.41) NTRK1JAK2IRAK4IRAK1PIM1
SCHEMBL405447 0.91 NTRK1 (0.45) NTRK1JAK2IRAK4PIM1PIM3
SCHEMBL406237 0.91 NTRK1 (0.45) NTRK1JAK2IRAK4PIM1PIM3
SCHEMBL15428577 0.91 NTRK1 (0.43) NTRK1JAK2IRAK4PIM1PIM3
SCHEMBL405047 0.83 TP53 (0.41) NTRK1SYKKDM4EALDH1A1HSD17B10
SCHEMBL406173 0.83 NTRK1 (0.52) NTRK1JAK2KDM4EALDH1A1HSD17B10
SCHEMBL406323 0.83 NTRK1 (0.43) NTRK1JAK2IRAK4SYKKDM4E
SCHEMBL404760 0.83 NTRK1 (0.55) NTRK1JAK2KDM4EHSD17B10TGFBR1
SCHEMBL405420 0.82 ALDH1A1 (0.41) NTRK1JAK2SYKKDM4EALDH1A1
SCHEMBL15428706 0.82 NTRK1 (0.49) NTRK1JAK2KDM4EHSD17B10TGFBR1

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 NTRK1 2693/4885JAK2 1/4885IRAK4 9/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885IRAK4 9/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885JAK2 1/4885IRAK4 9/4885

“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.