SCHEMBL13616257

SCHEMBL13616257

Cc1cc(NC(=O)c2ccncc2)ccc1F

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
MAPK1 P28482 2/20 0.58
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KCNK3 O14649 2/20 0.56
KCNK9 Q9NPC2 1/20 0.56
BLM P54132 1/20 0.55
HTT P42858 2/20 0.53
NAMPT P43490 1/20 0.53
BRAF P15056 1/20 0.53
KDM4E B2RXH2 1/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL12764158 0.86 RAB9A (0.68) GAAMAPK1LMNAPOLBL3MBTL1
SCHEMBL4191155 0.82 GAA (0.62) GAAMAPK1LMNAPOLBL3MBTL1
SCHEMBL11984234 0.81 GAA (0.57) GAAMAPK1LMNAPOLBSMN1; SMN2
SCHEMBL13616127 0.79 NAMPT (0.71) GAAMAPK1LMNAPOLBL3MBTL1
SCHEMBL31524185 0.79 GAA (0.62) GAAMAPK1LMNAPOLBL3MBTL1
SCHEMBL28025774 0.78 NPC1 (0.64) POLBSMN1; SMN2KCNK3KCNK9RAB9A
SCHEMBL17465718 0.78 NPC1 (0.64) LMNASMN1; SMN2RAB9ANPC1
SCHEMBL19242053 0.78 GAA (1.00) GAAMAPK1LMNAPOLBL3MBTL1
SCHEMBL4016790 0.78 KMT2A (0.52) LMNASMN1; SMN2BLMHTTBRAF
SCHEMBL19479148 0.78 KCNQ3 (0.50) MAPK1LMNASMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 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 (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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP GAA 1096/4885MAPK1 246/4885LMNA 3649/4885

“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.