SCHEMBL6351874

SCHEMBL6351874

CC(=O)c1c(C)nc2c(N)cccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
HCRTR1 O43613 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
GUCY1B2 O75343 1/20 0.38
GUCY1A2 P33402 1/20 0.38
GUCY1A1 Q02108 1/20 0.38
GUCY1B1 Q02153 1/20 0.38
TSPO P30536 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3551654 0.84 ALDH1A1 (0.67) KMT2AALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL7499292 0.81 SMN1; SMN2 (0.76) KMT2AALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL7989395 0.81 KMT2A (0.56) KMT2AALDH1A1SMN1; SMN2CYP1A2GUCY1B2
SCHEMBL24857397 0.80 KMT2A (0.55) KMT2AALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL8310837 0.79 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL7978626 0.79 KMT2A (0.54) KMT2AALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL5740019 0.76 ALDH1A1 (0.50) KMT2AALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL5220990 0.76 ATP4A (0.51) KMT2AALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL17018449 0.76 SMN1; SMN2 (0.56) KMT2AALDH1A1SMN1; SMN2CYP1A2KDM4E
SCHEMBL9081989 0.75 NPSR1 (0.39) KMT2AALDH1A1SMN1; SMN2KDM4EGAA

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-20050154007-A1 New compounds AMIN KOSRAT (SE) 2005-07-14 US disclosed
US-6790960-B2 Compounds ASTRAZENECA AB (SE) 2004-09-14 US disclosed
EP-1411056-A2 Imidazo[1,2-a]pyridine compounds that inhibit gastric acid secretion, pharmaceutical compositions thereof, and processes for their preparation AstraZeneca AB (SE) 2004-04-21 EP disclosed
US-20030220364-A1 New compounds AMIN KOSRAT (SE) 2003-11-27 US disclosed
US-6579884-B1 Compounds ASTRAZENECA AB (SE) 2003-06-17 US disclosed
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 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 (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-20030220364-A1 New compounds SLC10A2, GIPR, FABP2 KMT2A 4795/4885ALDH1A1 1399/4885SMN1; SMN2 4309/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 KMT2A 4789/4885ALDH1A1 1838/4885SMN1; SMN2 4396/4885

“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.