SCHEMBL654958

SCHEMBL654958

Cn1cc2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
ALDH1A1 P00352 5/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
NFKB1 P19838 1/20 0.47
CASP3 P42574 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46

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
SCHEMBL30703188 0.89 MAPT (0.61) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL2103993 0.87 MAPT (1.00) MAPTALDH1A1POLBNPC1RAB9A
Quinoline SCHEMBL27625328 0.85 MAPT (0.58) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL22604313 0.80 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14208181 0.80 MAPT (0.50) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL4733044 0.80 MAPT (0.50) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL28738218 0.80 MAPT (0.50) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL31304659 0.80 MAPT (0.50) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18638439 0.80 MAPT (0.50) MAPTALDH1A1POLBNPC1RAB9A
SCHEMBL12250993 0.80 MAPT (0.50) MAPTALDH1A1POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920698-B Preparation method of 6-chloro-2-methyl-2H-indol-5-amine 浙江科技学院 2024-06-25 CN claimed
CN-114920698-A Preparation method of 6-chloro-2-methyl-2H-indole-5-amine 浙江科技学院 2022-08-19 CN claimed
EP-3617213-B1 THIENO[3,2-D]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES HANMI PHARMACEUTICAL CO LTD (KR) 2025-02-19 EP disclosed
CN-114920698-B Preparation method of 6-chloro-2-methyl-2H-indol-5-amine 浙江科技学院 2024-06-25 CN disclosed
CN-114920698-B Preparation method of 6-chloro-2-methyl-2H-indol-5-amine 浙江科技学院 2024-06-25 CN disclosed
CN-113292539-B Substituted oxopyridine derivatives 拜耳制药股份公司 2023-12-22 CN disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 WO disclosed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed
US-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 US disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 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 (7 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B MAPT 1004/4885ALDH1A1 1603/4885POLB 3231/4885
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MAPT 4104/4885ALDH1A1 2891/4885POLB 3063/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT MAPT 4330/4885ALDH1A1 2723/4885POLB 1652/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A MAPT 4733/4885ALDH1A1 2615/4885POLB 4037/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 MAPT 3688/4885ALDH1A1 2035/4885POLB 1025/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A MAPT 4391/4885ALDH1A1 2302/4885POLB 4509/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 MAPT 4565/4885ALDH1A1 1218/4885POLB 3440/4885

“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.