SCHEMBL17196849

SCHEMBL17196849

Clc1ncc(Cl)c(N[C@H]2CCCNC2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
MAPK3 P27361 1/20 0.47
CCNT1 O60563 15/20 0.47
CDK9 P50750 13/20 0.47
CCNK O75909 12/20 0.47
CDK12 Q9NYV4 12/20 0.47
CCNE1 P24864 11/20 0.47
CDK2 P24941 11/20 0.47
CDK7 P50613 9/20 0.47
CCNH P51946 8/20 0.47
CRBN Q96SW2 1/20 0.47
MNAT1 P51948 7/20 0.46
BRD4 O60885 1/20 0.44
CHEK1 O14757 1/20 0.43

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
SCHEMBL17797536 0.86 KMT2A (0.70) KMT2ACCNT1CDK9CCNKCDK12
SCHEMBL17797539 0.86 KMT2A (0.70) KMT2ACCNT1CDK9CCNKCDK12
SCHEMBL6526224 0.86 KMT2A (0.48) KMT2ACCNT1CDK9CCNKCDK12
SCHEMBL6526221 0.86 KMT2A (0.48) KMT2ACCNT1CDK9CCNKCDK12
SCHEMBL17196763 0.85 KMT2A (0.46) KMT2ACCNT1CDK9CCNKCDK12
SCHEMBL1934159 0.83 KMT2A (0.69) KMT2AMAPK3
SCHEMBL993784 0.83 KMT2A (0.64) KMT2AMAPK3
SCHEMBL17196933 0.82 KMT2A (0.51) KMT2ACCNT1CDK7CCNHBRD4
SCHEMBL1937546 0.82 KMT2A (0.71) KMT2AMAPK3
SCHEMBL15974075 0.81 PIN1 (0.46) KMT2AMAPK3CDK2BRD4CHEK1

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-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

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-20170057957-A1 2,3,4,6-TETRA-SUBSTITUTED BENZENE-1,5-DIAMINE DERIVATIVES, PREPARATION METHOD THEREFOR AND MEDICINAL USE THEREOF CYP4F11, CYP2D6, CYP4B1 KMT2A 3752/4885MAPK3 3417/4885CCNT1 426/4885

“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.