SCHEMBL4197916

SCHEMBL4197916

COc1ccc(NC(=O)c2ccncc2)cc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 4/20 0.57
TP53 P04637 3/20 0.57
NPC1 O15118 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
GAA P10253 1/20 0.57
NAMPT P43490 2/20 0.56
LMNA P02545 4/20 0.55
MAPK1 P28482 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.52
KCNK3 O14649 1/20 0.51

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
SCHEMBL6809719 0.86 RAB9A (0.64) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11309004 0.84 NPC1 (0.76) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL13616127 0.84 NAMPT (0.71) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL11693468 0.84 NPC1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
Nitrogen SCHEMBL28355622 0.83 RAB9A (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11318579 0.83 NPC1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL31524185 0.81 GAA (0.62) ALDH1A1KMT2ASMN1; SMN2RAB9ATP53
SCHEMBL16098149 0.81 TRPV1 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11984410 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APKMSMN1; SMN2
SCHEMBL27910747 0.79 KMT2A (0.61) MEN1KMT2ASMN1; SMN2RAB9ATP53

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 10 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-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP ALDH1A1 1780/4885MEN1 3138/4885KMT2A 2222/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP ALDH1A1 1780/4885MEN1 3138/4885KMT2A 2222/4885

“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.