SCHEMBL18088680

SCHEMBL18088680

C=CC(=O)N1CCC(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/CN(C)C3)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 20/20 0.70
CDK2 P24941 20/20 0.70
FLT3 P36888 20/20 0.70
CCNA2 P20248 19/20 0.70
CCNA1 P78396 19/20 0.70
JAK1 P23458 2/20 0.59
ROCK2 O75116 1/20 0.59
CCNK O75909 1/20 0.59
STK10 O94804 1/20 0.59
PRKD3 O94806 1/20 0.59
ABL1 P00519 1/20 0.59
EGFR P00533 1/20 0.59
PRKCB P05771 1/20 0.59
CDK1 P06493 1/20 0.59
RET P07949 1/20 0.59
CYP2D6 P10635 1/20 0.59
CCNB1 P14635 1/20 0.59
FER P16591 1/20 0.59
PRKCA P17252 1/20 0.59
ERCC2 P18074 1/20 0.59

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
SCHEMBL18088687 0.96 JAK2 (0.69) JAK2CDK2FLT3CCNA2CCNA1
SCHEMBL18088685 0.96 JAK2 (0.72) JAK2CDK2FLT3CCNA2CCNA1
SCHEMBL18088684 0.95 JAK2 (0.71) JAK2CDK2FLT3CCNA2CCNA1
SCHEMBL18088686 0.91 JAK2 (0.68) JAK2CDK2FLT3CCNA2CCNA1
SCHEMBL18088661 0.91 JAK2 (0.66) JAK2CDK2FLT3CCNA2CCNA1
SCHEMBL18088691 0.90 JAK2 (0.66) JAK2CDK2FLT3CCNA2CCNA1
SCHEMBL18088766 0.90 JAK2 (0.69) JAK2CDK2FLT3CCNA2CCNA1
SCHEMBL19766400 0.90 FLT3 (0.69) JAK2CDK2FLT3CCNA2CCNA1
SCHEMBL18088792 0.89 JAK2 (0.64) JAK2CDK2FLT3CCNA2CCNA1
SCHEMBL18088694 0.88 JAK2 (0.67) JAK2CDK2FLT3CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200297724-A1 COVALENT INHIBITORS OF CDK-7 NEWAVE PHARMACEUTICAL INC. 2020-09-24 US disclosed
US-10456397-B2 Covalent inhibitors of CDK-7 NEWAVE PHARMACEUTICAL INC. (US) 2019-10-29 US disclosed
US-20190151316-A1 COVALENT INHIBITORS OF CDK-7 NEWAVE PHARMACEUTICAL LLC 2019-05-23 US disclosed
US-10195200-B2 Covalent inhibitors of CDK-7 NEWAVE PHARMACEUTICAL INC. (US) 2019-02-05 US disclosed
US-20180008604-A1 COVALENT INHIBITORS OF CDK-7 NEWAVE PHARMACEUTICAL LLC 2018-01-11 US disclosed
WO-2016149031-A1 COVALENT INHIBITORS OF CDK-7 NEWAVE PHARMACEUTICAL LLC (US) 2016-09-22 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 (5 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-10456397-B2 Covalent inhibitors of CDK-7 CDK7, CDKL1, CDK1 JAK2 148/4885CDK2 7/4885FLT3 544/4885
US-20190151316-A1 COVALENT INHIBITORS OF CDK-7 CDK7, CDKL1, CDK1 JAK2 148/4885CDK2 7/4885FLT3 544/4885
US-20200297724-A1 COVALENT INHIBITORS OF CDK-7 CDK7, CDKL1, CDK1 JAK2 148/4885CDK2 7/4885FLT3 544/4885
US-20180008604-A1 COVALENT INHIBITORS OF CDK-7 CDK7, CDKL1, CDK1 JAK2 148/4885CDK2 7/4885FLT3 544/4885
US-10195200-B2 Covalent inhibitors of CDK-7 CDK7, CDKL1, CDK1 JAK2 148/4885CDK2 7/4885FLT3 544/4885

“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.