Sugi Predict

Sugi Predict / Compounds / SCHEMBL2770161

SCHEMBL2770161

SCHEMBL2770161

O=c1[nH]c2c(c3ccccc13)C(N1CCCCC1)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PARP1 P09874 13/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TNKS O95271 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 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
SCHEMBL4248218 0.87 GAA (0.43) TSHRCYP1A2USP2CYP3A4GAA
SCHEMBL14028599 0.87 CYP1A2 (0.42) TSHRCYP1A2USP2CYP3A4GAA
SCHEMBL2763158 0.87 CYP1A2 (0.42) TSHRCYP1A2USP2CYP3A4GAA
SCHEMBL2769605 0.81 CYP1A2 (0.36) TSHRCYP1A2USP2CYP3A4GAA
SCHEMBL13376141 0.73 SERPINE1 (0.47) CYP1A2GAAPARP1KDM4EMEN1
SCHEMBL13377604 0.73 SERPINE1 (0.47) CYP1A2GAAPARP1KDM4EMEN1
SCHEMBL13911518 0.73 SERPINE1 (0.40) CYP1A2PARP1KDM4EMEN1TNKS
SCHEMBL14028600 0.73 SERPINE1 (0.40) CYP1A2PARP1KDM4EMEN1TNKS
SCHEMBL2763503 0.73 SERPINE1 (0.40) CYP1A2PARP1KDM4EMEN1TNKS
SCHEMBL14028594 0.73 SERPINE1 (0.47) CYP1A2GAAPARP1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420785-B1 SUBSTITUTED INDENO [1,2-C]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-04-28 — — EP disclosed
EP-1420785-B1 SUBSTITUTED INDENO [1,2-C]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-04-28 — — EP disclosed
EP-2033645-A1 Isoquinoline derivatives and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2009-03-11 — — EP disclosed
US-20050228007-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2005-10-13 — — US disclosed
US-6828319-B2 Antiinflamamtory agents; strokes; cardiovascular disorders INOTEK PHARMACEUTICALS CORPORATION 2004-12-07 — — US disclosed
US-20030096833-A1 Substituted ideno[1,2-c]isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2003-05-22 — — 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-20050228007-A1 Isoquinoline derivatives and methods of use thereof GLS, PINK1, PARK7 TSHR 4771/4885CYP1A2 893/4885USP2 3880/4885
US-20030096833-A1 Substituted ideno[1,2-c]isoquinoline derivatives and methods of use thereof UGT1A1, XPO1, IPO7 TSHR 4858/4885CYP1A2 21/4885USP2 1958/4885

“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.