SCHEMBL16809209

SCHEMBL16809209

CNc1cc(N2CCNCC2)nc(C)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.50
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
HRH4 Q9H3N8 4/20 0.46
ADRB1 P08588 1/20 0.46
NCF1 P14598 1/20 0.46
ABL1 P00519 1/20 0.41
SRC P12931 1/20 0.41
CYP2C9 P11712 1/20 0.41
EPHX2 P34913 1/20 0.41
BPTF Q12830 2/20 0.40
DPP4 P27487 1/20 0.40
AURKA O14965 2/20 0.40
KDR P35968 2/20 0.40
FLT3 P36888 2/20 0.40
FLT1 P17948 1/20 0.40
IKBKB O14920 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL13299617 0.85 NUDT1 (0.68) NUDT1HRH4CYP2C9EPHX2MEN1
SCHEMBL19928663 0.83 HRH4 (0.51) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL16840714 0.81 ALDH1A1 (0.59) NUDT1HRH4MEN1KMT2A
SCHEMBL30376883 0.80 CASP1 (0.53) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL14538233 0.80 CASP1 (0.53) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL19928672 0.79 CASP1 (0.40) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL20905447 0.77 KMT2A (0.51) CASP1CASP4CASP5HRH4ADRB1
Hydrochloric Acid SCHEMBL1854981 0.75 KMT2A (0.50) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL17623265 0.75 HRH4 (0.63) CASP1CASP4CASP5HRH4ADRB1
SCHEMBL16809275 0.75 SRC (0.56) ABL1SRCFLT3

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 10 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
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-03 US disclosed
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-27 US disclosed
WO-2015089481-A2 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 WO disclosed
WO-2015089479-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-06-18 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 (6 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 NUDT1 2654/4885CASP1 445/4885CASP4 1073/4885
US-20180194739-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 NUDT1 2827/4885CASP1 398/4885CASP4 1053/4885
US-20160311807-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 NUDT1 2654/4885CASP1 445/4885CASP4 1073/4885
US-10633348-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 NUDT1 2827/4885CASP1 398/4885CASP4 1053/4885
US-10597387-B2 Methods to treat lymphoplasmacytic lymphoma IRAK1, IRAK4, IRAK2 NUDT1 2654/4885CASP1 445/4885CASP4 1073/4885
US-20160318878-A1 METHODS TO TREAT LYMPHOPLASMACYTIC LYMPHOMA IRAK1, IRAK4, IRAK2 NUDT1 3295/4885CASP1 247/4885CASP4 680/4885

“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.