SCHEMBL3322501

SCHEMBL3322501

Cc1nccc2nc(NCc3ccccc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 6/20 0.54
CYP3A4 P08684 6/20 0.54
CYP2D6 P10635 6/20 0.54
CYP2C19 P33261 6/20 0.54
TSHR P16473 3/20 0.54
CLK4 Q9HAZ1 3/20 0.54
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
NOS2 P35228 1/20 0.54
FABP1 P07148 1/20 0.49
FABP6 P51161 1/20 0.49
ACHE P22303 5/20 0.48
USP2 O75604 3/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL3322228 0.77 ACHE (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3319966 0.77 ACHE (0.48) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3322480 0.75 HRH3 (0.55) ALDH1A1KDM4ECYP2C19MAP4K4KMT2A
SCHEMBL3320690 0.75 SIGMAR1 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3323533 0.74 RAD52 (0.49) ALDH1A1CYP2C19MAPK1KMT2A
SCHEMBL3320010 0.74 ACHE (0.57) ACHE
SCHEMBL3318445 0.74 PRMT6 (0.54)
SCHEMBL7507429 0.73 WNT3A (0.57) ALDH1A1KDM4ESMN1; SMN2TSHRACHE
SCHEMBL30885179 0.73 RAB9A (0.66) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11551000 0.73 CDC7 (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO 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 (1 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-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, AGTR1, AGTR2 ALDH1A1 4397/4885KDM4E 4548/4885HPGD 1867/4885

“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.