SCHEMBL19928663

SCHEMBL19928663

Cc1nc(NC(C)C)cc(N2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.51
PRKD1 Q15139 2/20 0.48
PRKD2 Q9BZL6 2/20 0.48
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
ADRB1 P08588 1/20 0.43
NCF1 P14598 1/20 0.43
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL19928672 0.86 CASP1 (0.40) HRH4PRKD1PRKD2CASP1CASP4
SCHEMBL16809209 0.83 NUDT1 (0.50) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL1775187 0.81 HRH4 (0.67) HRH4PRKD1PRKD2CASP1CASP4
SCHEMBL14702329 0.77 CASP1 (0.47) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL19928686 0.77 SRC (0.56) HRH4FLT3ABL1SRC
SCHEMBL14538233 0.76 CASP1 (0.53) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL30376883 0.76 CASP1 (0.53) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL25493012 0.75 HTR3E (0.54) HRH4PRKD1PRKD2CASP1CASP4
SCHEMBL14538237 0.74 CASP1 (0.56) HRH4CASP1CASP4CASP5ADRB1
SCHEMBL20905447 0.73 KMT2A (0.51) HRH4CASP1CASP4CASP5ADRB1

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-RE50030-E1 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-02 US disclosed
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-28 US disclosed
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-24 US disclosed
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. 2018-07-12 US disclosed
US-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-07-05 US disclosed
US-9908872-B2 Methods to treat lymphoplasmacytic lymphoma DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 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 (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-20180186780-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 HRH4 3627/4885PRKD1 886/4885PRKD2 1694/4885
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 HRH4 3018/4885PRKD1 566/4885PRKD2 1332/4885
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 HRH4 3018/4885PRKD1 566/4885PRKD2 1332/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 HRH4 3627/4885PRKD1 886/4885PRKD2 1694/4885

“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.