Sugi Predict

Sugi Predict / Compounds / SCHEMBL1250107

SCHEMBL1250107

SCHEMBL1250107

O=[N+]([O-])c1cc(Br)cc2[nH]ncc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.57
▸ TDO2 P48775 8/20 0.56
▸ IDO1 P14902 7/20 0.56
▸ PIM3 Q86V86 5/20 0.47
▸ PIM1 P11309 2/20 0.47
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ DYRK1A Q13627 1/20 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
SCHEMBL2215478 0.85 TDO2 (0.46) NOS1TDO2IDO1PIM3PIM1
SCHEMBL27228055 0.80 NOS1 (0.57) NOS1TDO2IDO1PIM3PIM1
SCHEMBL4787604 0.80 NOS1 (0.57) NOS1TDO2IDO1PIM3PIM1
SCHEMBL165798 0.80 NOS1 (0.57) NOS1TDO2IDO1PIM3PIM1
SCHEMBL4400129 0.80 NOS1 (0.57) NOS1TDO2IDO1PIM3PIM1
SCHEMBL30856077 0.78 CYP1A2 (0.51) NOS1TDO2IDO1PIM3PIM1
SCHEMBL17349025 0.78 NOS1 (0.54) NOS1TDO2IDO1PIM3PIM1
SCHEMBL28666076 0.76 TDO2 (0.59) NOS1TDO2IDO1MAPTCYP3A4
SCHEMBL27228483 0.76 NOS1 (0.53) NOS1TDO2IDO1PIM3PIM1
SCHEMBL14718665 0.76 PIM3 (0.50) NOS1TDO2IDO1PIM3PIM1

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777098-A 4-aminoindazole double-target inhibitor and preparation method and application thereof 成都市第三人民医院 2024-03-29 — — CN claimed
EP-4594305-A1 TEAD INHIBITORS AND METHODS OF USES THEREOF Insilico Medicine IP Limited (HK) 2025-08-06 — — EP disclosed
CN-119968359-A TEAD inhibitors and methods of use thereof 英矽智能科技知识产权有限公司 2025-05-09 — — CN disclosed
US-12103915-B2 TEAD inhibitors and methods of uses thereof INSILICO MEDICINE IP LIMITED (HK) 2024-10-01 — — US disclosed
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 — — US disclosed
CN-116621843-B DNA methyltransferase 1 inhibitor and preparation method and application thereof 四川大学华西医院 2024-05-24 — — CN disclosed
US-20240166608-A1 TEAD INHIBITORS AND METHODS OF USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2024-05-23 — — US disclosed
WO-2024067773-A1 TEAD INHIBITORS AND METHODS OF USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-04-04 — — WO disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — WO disclosed
CN-117777098-A 4-aminoindazole double-target inhibitor and preparation method and application thereof 成都市第三人民医院 2024-03-29 — — CN disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 — — US disclosed
US-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2011-07-21 — — US disclosed
WO-2011067366-A1 INDAZOLE DERIVATIVES AS PI 3 - KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-06-09 — — WO disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 — — US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 — — US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 — — US disclosed
EP-2300437-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES Glaxo Group Limited (GB) 2011-03-30 — — EP disclosed
EP-2280959-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 — — EP disclosed
WO-2009147188-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 — — WO disclosed
WO-2009147190-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 — — WO 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 (6 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-20110178063-A1 BENZPYRAZOL DERIVATIVES AS INHIBITORS OF PI3 KINASES PIK3CA, PIK3CD, PI4KA NOS1 2772/4885TDO2 2814/4885IDO1 1256/4885
US-12103915-B2 TEAD inhibitors and methods of uses thereof TEAD2, TEAD3, TEAD4 NOS1 3823/4885TDO2 3569/4885IDO1 3596/4885
US-20240166608-A1 TEAD INHIBITORS AND METHODS OF USES THEREOF TEAD2, TEAD3, TEAD4 NOS1 3823/4885TDO2 3569/4885IDO1 3596/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD NOS1 3091/4885TDO2 4183/4885IDO1 2196/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 NOS1 4272/4885TDO2 3302/4885IDO1 2631/4885
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 NOS1 4053/4885TDO2 3880/4885IDO1 2872/4885

“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.