SCHEMBL844926

SCHEMBL844926

Clc1ncc(Cl)c(NC2CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
AXL P30530 1/20 0.47
CHRM4 P08173 1/20 0.40
CYP3A4 P08684 1/20 0.40
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
HDAC3 O15379 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CDK7 P50613 4/20 0.38

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
SCHEMBL993784 0.93 KMT2A (0.64) KMT2AAXLCTSCADORA3ADORA2A
SCHEMBL1934159 0.93 KMT2A (0.69) KMT2AAXLCTSCADORA3ADORA2A
SCHEMBL1937546 0.91 KMT2A (0.71) KMT2AAXLCTSCADORA3ADORA2A
SCHEMBL17196933 0.88 KMT2A (0.51) KMT2AAXLCYP3A4JAK2JAK1
SCHEMBL22866203 0.85 KMT2A (0.46) KMT2AAXLCHRM4CYP3A4JAK2
SCHEMBL2060936 0.85 ALK (0.47) KMT2AJAK2JAK1CDK7CDK9
SCHEMBL2061471 0.85 ALK (0.47) KMT2AJAK2JAK1CDK7CDK9
SCHEMBL2060937 0.85 ALK (0.47) KMT2AJAK2JAK1CDK7CDK9
SCHEMBL1936873 0.84 KMT2A (0.46) KMT2AAXLJAK2JAK1TYK2
SCHEMBL17196763 0.84 KMT2A (0.46) KMT2AAXLJAK2JAK1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed
EP-3144292-B1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (US) 2020-08-26 EP disclosed
US-9879008-B2 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-01-30 US disclosed
US-9879008-B2 2,3,4,6-tetra-substituted benzene-1,5-diamine derivatives, preparation method therefor and medicinal use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2018-01-30 US disclosed
EP-3144292-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD (US) 2017-03-22 EP disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 US disclosed
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-03-02 US disclosed
WO-2015158233-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF 上海海雁医药科技有限公司 2015-10-22 WO disclosed
US-20140275123-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
WO-2010135070-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI DOW AGROSCIENCES LLC (US) 2010-11-25 WO disclosed
WO-2010135070-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI DOW AGROSCIENCES LLC (US) 2010-11-25 WO disclosed
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 US disclosed
WO-2010025833-A1 ALKOXY-SUBSTITUTED AND ALKYLTHIO-SUBSTITUTED ANILINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2010025831-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2010025851-A1 THIENYLAMINO PYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
WO-2010025850-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO disclosed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP disclosed
CN-101346380-A Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER PROD INC (US) 2009-01-14 CN disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 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 (4 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-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 KMT2A 2345/4885AXL 547/4885CHRM4 1012/4885
US-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF CYP4F11, CYP2D6, CYP4B1 KMT2A 3752/4885AXL 2655/4885CHRM4 4496/4885
US-20140275123-A1 COMPOUNDS AND METHODS FOR CONTROLLING FUNGI C5, CBR3, CBR1 KMT2A 2977/4885AXL 2982/4885CHRM4 169/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 KMT2A 836/4885AXL 624/4885CHRM4 3846/4885

“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.