SCHEMBL13907142

SCHEMBL13907142

CC(C)CN1CCCN(CCO)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
PIK3CD O00329 2/20 0.47
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HTR7 P34969 1/20 0.41
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.37
ADRB2 P07550 1/20 0.37
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL22996251 1.00 KMT2A (0.48) KMT2ALMNAHTTPIK3CDALDH1A1
SCHEMBL13850080 0.98 KMT2A (0.46) KMT2ALMNAHTTPIK3CDALDH1A1
SCHEMBL10232756 0.94 KMT2A (0.53) KMT2ALMNAHTTPIK3CDALDH1A1
SCHEMBL20363771 0.82 PIK3CD (0.48) KMT2APIK3CDHTR7MEN1MAPT
SCHEMBL12958917 0.82 ALDH1A1 (0.56) KMT2ALMNAHTTALDH1A1KDM4E
SCHEMBL27220451 0.82 ALDH1A1 (0.56) KMT2ALMNAHTTALDH1A1KDM4E
SCHEMBL8860543 0.82 ALDH1A1 (0.56) KMT2ALMNAHTTALDH1A1KDM4E
SCHEMBL426429 0.82
SCHEMBL14258662 0.81 PIK3CD (0.48) KMT2ALMNAHTTPIK3CDMEN1
SCHEMBL378213 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4105217-A1 3-((8-((1H-PYRAZOL-4-YL)AMINO)IMIDAZO[1,2-A]PYRIDIN-3-YL)ETHINYL)-N-PHENYLBENZAMIDE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2022-12-21 EP disclosed
US-20090075981-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 US disclosed
US-20090075981-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 US disclosed
US-7423049-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-09 US disclosed
US-7423049-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-09 US disclosed
US-20070060572-A1 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 US disclosed
US-20070060572-A1 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 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 (2 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-20090075981-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 KMT2A 3956/4885LMNA 2007/4885HTT 3258/4885
US-20070060572-A1 Inhibitors of p38 MAPK1, MAPK3, MAP3K1 KMT2A 3956/4885LMNA 2007/4885HTT 3258/4885

“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.