SCHEMBL401831

SCHEMBL401831

COc1cccc(NC(=O)c2cnn3ccc(N(C)c4cccnc4)nc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
TSHR P16473 2/20 0.51
THRB P10828 1/20 0.49
MAPK13 O15264 1/20 0.48
PIM1 P11309 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CSF1R P07333 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.45

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
SCHEMBL404511 0.90 HTT (0.47) NPC1RAB9AHTTKDM4EMAPT
SCHEMBL406159 0.89 NPC1 (0.57) SMN1; SMN2NPC1RAB9ACSF1RHTT
SCHEMBL404422 0.88 HTT (0.60) SMN1; SMN2TSHRNPC1RAB9ACSF1R
SCHEMBL401371 0.88 HTT (0.48) SMN1; SMN2PIM1NPC1RAB9ACSF1R
SCHEMBL403236 0.87 HTT (0.53) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL405511 0.86 NPC1 (0.48) SMN1; SMN2NPC1RAB9ACSF1RHTT
SCHEMBL405797 0.85 IRAK4 (0.59) PIM1MAPTIRAK4
SCHEMBL404915 0.85 HTT (0.48) SMN1; SMN2TSHRNPC1RAB9AHTT
SCHEMBL400081 0.84 STING1 (0.48) SMN1; SMN2NPC1RAB9ACSF1RHTT
SCHEMBL401813 0.84 HTT (0.49) SMN1; SMN2NPC1RAB9ACSF1RHTT

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 SMN1; SMN2 2551/4885TSHR 900/4885THRB 2632/4885
US-20140107099-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SMN1; SMN2 2551/4885TSHR 900/4885THRB 2632/4885
US-20160244456-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 SMN1; SMN2 2551/4885TSHR 900/4885THRB 2632/4885

“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.