SCHEMBL3243672

SCHEMBL3243672

Oc1c(Cl)cc(-c2cnc(OCCc3cccc4ccccc34)nn2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
PHF8 Q9UPP1 4/20 0.37
AKR1B1 P15121 1/20 0.34
ADORA2A P29274 2/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
ADORA2B P29275 1/20 0.33
NPBWR1 P48145 1/20 0.33
CDYL Q9Y232 1/20 0.33
KRAS P01116 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C19 P33261 2/20 0.32
MMP3 P08254 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3240374 0.89 KMT2A (0.39) P2RX7AKR1B1PIK3CAPIK3CBCYP1A2
SCHEMBL3246142 0.87 MEN1 (0.36) P2RX7PHF8AKR1B1ADORA2APIK3CA
SCHEMBL3241352 0.81 MAPK1 (0.43) PIK3CAPIK3CBMEN1HTTKMT2A
SCHEMBL3243363 0.79 ACHE (0.43) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL3244047 0.79 CRHBP (0.34) P2RX7PHF8ADORA2AADORA2BLMNA
SCHEMBL3245329 0.77 RHEB (0.37) PIK3CAMEN1KMT2A
SCHEMBL3240138 0.76 RPS6KA3 (0.40) P2RX7CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL3245397 0.76 IDO1 (0.39) PHF8PIK3CAMAPTKMT2A
SCHEMBL3242221 0.76 CNR1 (0.38) AKR1B1PIK3CAPIK3CBCYP1A2CYP3A4
SCHEMBL3247506 0.75 TDP1 (0.42) MAPTPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
WO-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 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 (3 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 P2RX7 385/4885PHF8 4812/4885AKR1B1 964/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 P2RX7 449/4885PHF8 4761/4885AKR1B1 426/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 P2RX7 449/4885PHF8 4761/4885AKR1B1 426/4885

“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.