SCHEMBL3240328

SCHEMBL3240328

Oc1c(Br)cc(-c2cnc(Cc3cccc4ccccc34)nn2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.44
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
P2RX3 P56373 1/20 0.36
NQO1 P15559 2/20 0.35
CETP P11597 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ACP3 P15309 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL3232727 0.81 KDM4E (0.40) MEN1KMT2AMAPTGAA
SCHEMBL3242221 0.81 CNR1 (0.38) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL3246142 0.80 MEN1 (0.36) MEN1KMT2ALMNAMAPTCRHBP
SCHEMBL3240197 0.75 CCR5 (0.39) MEN1KMT2ALMNAMAPTCRHBP
SCHEMBL4301010 0.75 MEN1 (0.33) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL3240684 0.70 CRHBP (0.45) MEN1KMT2ALMNAMAPTCRHBP
SCHEMBL8006778 0.70 MAOB (0.46) MEN1KMT2ALMNAMAPTGAA
SCHEMBL3243963 0.70 HTR1A (0.40) LMNAMAPTADRA2AADRA2BADRA2C
SCHEMBL3237976 0.69 ALDH1A1 (0.37) MEN1KMT2ALMNAMAPTCRHBP
SCHEMBL4301013 0.69 TSHR (0.33) KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GPR84 255/4885MEN1 2901/4885KMT2A 4503/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 GPR84 697/4885MEN1 2895/4885KMT2A 4715/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 GPR84 697/4885MEN1 2895/4885KMT2A 4715/4885

“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.