SCHEMBL3024650

SCHEMBL3024650

Clc1nc(OC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.42
LRRK2 Q5S007 5/20 0.36
CDK1 P06493 3/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
PAK1 Q13153 1/20 0.33
TTK P33981 1/20 0.32
CCNB2 O95067 2/20 0.32
CCNB1 P14635 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
CCNB3 Q8WWL7 2/20 0.32
HDAC3 O15379 2/20 0.32
CDK9 P50750 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
CNR1 P21554 1/20 0.32
PTGES O14684 1/20 0.32
HDAC1 Q13547 1/20 0.31
KMO O15229 1/20 0.31

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
SCHEMBL30872619 1.00 JAK3 (0.42) JAK3LRRK2CDK1JAK2JAK1
SCHEMBL6266762 0.81 CDK2 (0.48) CDK1CCNB2CCNB1CCNA2CDK2
SCHEMBL8830357 0.78 CDK2 (0.40) JAK3LRRK2CDK1JAK2JAK1
SCHEMBL9204246 0.78 JAK3 (0.58) JAK3LRRK2CDK1JAK2JAK1
SCHEMBL9204849 0.76 JAK3 (0.56) JAK3LRRK2CDK1JAK2JAK1
SCHEMBL31380770 0.73 XDH (0.37)
SCHEMBL1443986 0.73 XDH (0.37)
SCHEMBL5439050 0.72 KMT2A (0.51) PAK1
SCHEMBL183228 0.72 KMT2A (0.51) PAK1
SCHEMBL5442344 0.72 KMT2A (0.51) PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715904-A CDK2 degrading agents and uses thereof 凯麦拉医疗公司 2024-03-15 CN disclosed
US-20230110180-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-13 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
US-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 US disclosed
US-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 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 (3 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-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof TYMP, HPRT1, IMPDH1 JAK3 2341/4885LRRK2 4185/4885CDK1 213/4885
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 JAK3 583/4885LRRK2 3245/4885CDK1 3187/4885
US-20230110180-A1 CDK2 DEGRADERS AND USES THEREOF CDK2, CDK20, CDK1 JAK3 1555/4885LRRK2 1389/4885CDK1 3/4885

“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.