SCHEMBL1469433

SCHEMBL1469433

N#CCc1cc(F)cc(F)c1.NCCc1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
MAOB P27338 4/20 0.37
IDO1 P14902 2/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
DAO P14920 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL1019992 0.85 KDM4E (0.43) IDO1KDM4ETDP1CYP11B1CYP11B2
SCHEMBL1014548 0.83 TAAR1 (0.60) TAAR1MAOBIDO1DAOHTR2A
SCHEMBL8657492 0.81 KDM4E (0.43) IDO1KDM4ETDP1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL2211247 0.81 TAAR1 (0.58) TAAR1MAOBIDO1KDM4ETDP1
SCHEMBL23536734 0.77 TAAR1 (0.46) TAAR1MAOB
SCHEMBL25808872 0.76 KDM4E (0.37) IDO1KDM4ETDP1CYP11B1CYP11B2
SCHEMBL14431663 0.74 KDM4E (0.38) IDO1KDM4ETDP1CYP11B1CYP11B2
SCHEMBL19546176 0.73 GPR84 (0.45) KDM4EHTR2AHTR2C
SCHEMBL10546321 0.73 MEN1 (0.52) TAAR1IDO1TDP1CYP11B1DAO
SCHEMBL20576683 0.72 KDM4E (0.37) IDO1KDM4ETDP1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-03-24 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 (1 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-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES PRKCZ, PRKCQ, PRKCE TAAR1 2694/4885MAOB 2252/4885IDO1 1943/4885

“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.