SCHEMBL402166

SCHEMBL402166

O=C(Nc1ccccc1)c1cnn2ccc(NCc3ccc(Cl)c(Cl)c3)nc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 4/20 0.51
IRAK4 Q9NWZ3 6/20 0.48
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
RET P07949 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NLRP3 Q96P20 1/20 0.45
SSTR3 P32745 1/20 0.43
PLK4 O00444 1/20 0.43
JAK2 O60674 1/20 0.43
EPHB3 P54753 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GBA1 P04062 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL16460388 0.89 SMN1; SMN2 (0.48) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL16460685 0.89 RAB9A (0.54) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL404803 0.88 NTRK1 (0.49) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL406018 0.88 PIM1 (0.54) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL403245 0.86 NTRK1 (0.54) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL405544 0.85 NTRK1 (0.54) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL404615 0.85 NTRK1 (0.54) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL403483 0.85 RET (0.50) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL403981 0.85 KDM4E (0.53) NTRK1IRAK4PIM1PIM3PIM2
SCHEMBL403713 0.85 FYN (0.51) NTRK1IRAK4RETNPC1RAB9A

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 2693/4885IRAK4 9/4885PIM1 181/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885IRAK4 9/4885PIM1 181/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NTRK1 2693/4885IRAK4 9/4885PIM1 181/4885

“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.