SCHEMBL4200628

SCHEMBL4200628

O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccncc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
HTT P42858 3/20 0.62
MAPT P10636 6/20 0.60
MAPK1 P28482 4/20 0.60
RAB9A P51151 1/20 0.60
MCL1 Q07820 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 1/20 0.55
POLB P06746 3/20 0.53
MITF O75030 1/20 0.53
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
CA1 P00915 1/20 0.51
MMP2 P08253 1/20 0.51
CA14 Q9ULX7 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
SCHEMBL1663888 0.87 GAA (0.60) LMNAMEN1KMT2AHTTMAPT
SCHEMBL1454593 0.86 MEN1 (0.72) LMNAMEN1KMT2AHTTMAPT
SCHEMBL12181974 0.85 MAPT (0.65) LMNAMEN1KMT2AHTTMAPT
SCHEMBL7125499 0.84 MEN1 (0.63) LMNAMEN1KMT2AHTTMAPT
SCHEMBL1454500 0.84 MEN1 (0.63) LMNAMEN1KMT2AHTTMAPT
SCHEMBL31524206 0.84 MAPT (0.70) LMNAMEN1KMT2AHTTMAPT
SCHEMBL6223530 0.84 MAPT (0.70) LMNAMEN1KMT2AHTTMAPT
SCHEMBL6813549 0.83 MEN1 (0.70) LMNAMEN1KMT2AHTTMAPT
SCHEMBL1455571 0.82 MEN1 (0.61) LMNAMEN1KMT2AHTTMAPT
SCHEMBL7302395 0.82 RAB9A (0.75) LMNAMEN1KMT2AHTTMAPT

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
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-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 LMNA 3649/4885MEN1 3138/4885KMT2A 2222/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP LMNA 3649/4885MEN1 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.