SCHEMBL2076997

SCHEMBL2076997

CC(C)Cn1ncc(C(N)=O)c1N

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
RIPK2 O43353 1/20 0.44
ALDH1A1 P00352 2/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.37
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
TYK2 P29597 4/20 0.36
JAK3 P52333 4/20 0.36
ACHE P22303 2/20 0.36
MAPK14 Q16539 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL31352358 0.87 ALDH1A1 (0.42) TSHRALDH1A1LMNANPC1ACHE
SCHEMBL6155187 0.83 TSHR (0.40) TSHRRIPK2ALDH1A1LMNARAB9A
SCHEMBL1717058 0.81 TSHR (0.58) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL31352277 0.80 NPC1 (0.62) TSHRALDH1A1LMNANPC1RAB9A
SCHEMBL2862025 0.78 TSHR (0.55) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL5499546 0.76 TSHR (0.56) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL174598 0.76 TSHR (0.60) TSHRRIPK2ALDH1A1LMNANPC1
SCHEMBL27472808 0.75 TSHR (0.52) TSHRRIPK2LMNANPC1MAPK14
SCHEMBL691749 0.74 TSHR (0.53) TSHRSMN1; SMN2MAPK14POLB
SCHEMBL5398742 0.74 TSHR (0.37) TSHRACHE

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270750-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-08-15 US disclosed
CN-117529315-A Imidazole-containing ALK2 kinase inhibitors 生物水晶制药公司 2024-02-06 CN disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
CN-101448822-B Substituted pyrazolopyrimidines CEPHALON INC 2013-11-06 CN disclosed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
CN-101448822-A Substituted pyrazolopyrimidines KYOCERA CORP (US) 2009-06-03 CN disclosed
EP-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 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-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 TSHR 1331/4885RIPK2 2224/4885ALDH1A1 813/4885
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A TSHR 3962/4885RIPK2 4031/4885ALDH1A1 247/4885
US-20240270750-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A TSHR 3668/4885RIPK2 77/4885ALDH1A1 980/4885

“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.