SCHEMBL7036622

SCHEMBL7036622

[CH2]c1ccc(-n2cncn2)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP3A4 P08684 1/20 0.54
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BLM P54132 1/20 0.40
S1PR3 Q99500 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
POLB P06746 1/20 0.37
S1PR1 P21453 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2A6 P11509 1/20 0.35

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
SCHEMBL1485069 0.82 CYP3A4 (0.56) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL2658961 0.79 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL2896197 0.79 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL14321518 0.79 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL7035428 0.76 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL1611931 0.76 ALDH1A1 (0.58) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL4447504 0.76 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL12490579 0.74 CYP1A2 (0.71) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL6656755 0.74 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL600179 0.73 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613747-B2 Erythromycins to treat community-acquired pneumonia and upper and lower respiratory tract, skin and soft tissue, hospital-acquired lung, bone and joint infections; Staphyloccus; Enterococcus; Moraxella; Hemophilus; antibiotic resistance ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-02 US disclosed
US-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-01-16 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 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 (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-20030013663-A1 6-O-CARBAMOYL KETOLIDE ANTIBACTERIALS Q6ZSR9, KDM4E, HK1 CYP1A2 2899/4885CYP2C9 747/4885CYP2C19 1747/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E CYP1A2 3028/4885CYP2C9 753/4885CYP2C19 1754/4885

“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.