Sugi Predict

Sugi Predict / Compounds / SCHEMBL5201604

SCHEMBL5201604

SCHEMBL5201604

O=c1[nH]cc(-c2c[nH]nc2-c2ccccn2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.44
▸ LRRK2 Q5S007 1/20 0.43
▸ LMNA P02545 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ PRMT5 O14744 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ ROCK1 Q13464 1/20 0.37

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
SCHEMBL5139537 0.82 LRRK2 (0.49) LRRK2LMNANPC1ALDH1A1RAB9A
SCHEMBL3463943 0.78 KDM4E (0.48) LRRK2LMNANPC1ALDH1A1RAB9A
SCHEMBL29832156 0.77 LRRK2 (0.47) PARP1LRRK2LMNANPC1ALDH1A1
SCHEMBL29547877 0.76 TGFBR1 (0.56) LRRK2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL29504909 0.76 TGFBR1 (0.56) LRRK2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL373665 0.76 TGFBR1 (0.56) LRRK2NPC1ALDH1A1RAB9AKDM4E
SCHEMBL5139684 0.75 ACVR1 (0.57) PARP1SMN1; SMN2PIM1TGFBR1
SCHEMBL27628474 0.74 TGFBR1 (0.49) LRRK2LMNANPC1RAB9AHIF1A
SCHEMBL5138572 0.73 SMN1; SMN2 (0.42) LRRK2LMNANPC1ALDH1A1RAB9A
SCHEMBL10040945 0.72 KDM4E (0.48) LRRK2LMNANPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 — — EP claimed
US-20060264440-A1 Pyrazoles and methods of making and using the same BIOGEN IDEC MA INC. (US) 2006-11-23 — — US claimed
EP-1596656-A4 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC INC (US) 2006-10-18 — — EP claimed
JP-2006517592-A — — 2006-07-27 — — JP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 — — WO claimed
EP-1596656-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME Biogen Idec MA Inc. (US) 2005-11-23 — — EP claimed
WO-2004072033-A2 PYRAZOLES AND METHODS OF MAKING AND USING THE SAME BIOGEN IDEC MA INC. (US) 2004-08-26 — — WO claimed

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-20060264440-A1 Pyrazoles and methods of making and using the same ALK, ACVR1, ALKBH5 PARP1 702/4885LRRK2 3140/4885LMNA 2785/4885

“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.