Sugi Predict

Sugi Predict / Compounds / SCHEMBL4316362

SCHEMBL4316362

SCHEMBL4316362

COc1ccc(C(=O)c2ccc(-n3cnnn3)cc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PTGS2 P35354 4/20 0.41
▸ TUBB4A P04350 2/20 0.40
▸ TUBB P07437 2/20 0.40
▸ TUBA3C P0DPH7 2/20 0.40
▸ TUBA1B P68363 2/20 0.40
▸ TUBA4A P68366 2/20 0.40
▸ TUBB4B P68371 2/20 0.40
▸ TUBB3 Q13509 2/20 0.40
▸ TUBB2A Q13885 2/20 0.40
▸ TUBB8 Q3ZCM7 2/20 0.40
▸ TUBA3E Q6PEY2 2/20 0.40

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
SCHEMBL3805935 0.82 MAPT (0.41) RXFP1MEN1KMT2AMAPTALDH1A1
SCHEMBL15906122 0.82 POLB (0.46) MAPTALDH1A1RAB9ATUBB4ATUBB
SCHEMBL3794588 0.81 MAPT (0.44) MAPTRAB9ATUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL3790264 0.80 MAPT (0.44) MAPTRAB9ATUBB4ATUBBTUBA3C
SCHEMBL8055713 0.79 HDAC8 (0.44) RXFP1MEN1KMT2AMAPTNPC1
SCHEMBL3794087 0.79 PDE4D (0.58) RXFP1MEN1KMT2AMAPTALDH1A1
SCHEMBL3790722 0.78 MAPT (0.38) MAPTNPC1RAB9ATUBB4ATUBB
SCHEMBL3797522 0.78 ALDH1A1 (0.50) RXFP1MEN1KMT2AMAPTALDH1A1
SCHEMBL3786448 0.78 MAPK1 (0.48) MEN1KMT2AMAPTRAB9AL3MBTL1
SCHEMBL13578421 0.78 MAPT (0.41) KMT2AMAPTALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 — — US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 — — US disclosed
EP-2674417-A2 Biaryl PDE4 inhibitors for treating inflammation Decode Genetics EHF (IS) 2013-12-18 — — EP disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 — — US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 — — 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B RXFP1 845/4885MEN1 3649/4885KMT2A 1434/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B RXFP1 845/4885MEN1 3649/4885KMT2A 1434/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B RXFP1 845/4885MEN1 3649/4885KMT2A 1434/4885

“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.