SCHEMBL11976992

SCHEMBL11976992

CC(C)c1cc(C(=O)N2CCN(C)CC2)ccc1F

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
HPGD P15428 4/20 0.57
TSHR P16473 1/20 0.57
POLB P06746 3/20 0.55
HSP90AA1 P07900 3/20 0.52
HSP90AB1 P08238 3/20 0.52
EPHX2 P34913 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
ALOX15 P16050 1/20 0.49
ERN1 O75460 1/20 0.48
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL24746204 0.89 KMT2A (0.71) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL24746239 0.88 HSP90AA1 (0.55) KMT2AMEN1HPGDTSHRHSP90AA1
SCHEMBL22844142 0.87 HPGD (0.61) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL11976994 0.84 HSP90AA1 (0.73) KMT2AMEN1HPGDPOLBHSP90AA1
SCHEMBL26814867 0.81 HPGD (0.58) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL14345351 0.81 KMT2A (0.77) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL13344996 0.81 KMT2A (0.77) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL11976991 0.81 POLB (0.57) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL11976982 0.79 KMT2A (0.75) KMT2AMEN1HPGDTSHRPOLB
SCHEMBL16860673 0.79 GLRA1 (0.63) KMT2AMEN1HPGDTSHRPOLB

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-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

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 KMT2A 2222/4885MEN1 3138/4885HPGD 824/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP KMT2A 2222/4885MEN1 3138/4885HPGD 824/4885

“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.