SCHEMBL12891981

SCHEMBL12891981

N=Cc1c(N)ncnc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 7/20 0.34
PI4K2B Q8TCG2 7/20 0.34
PI4K2A Q9BTU6 7/20 0.34
PI4KB Q9UBF8 7/20 0.34
RET P07949 5/20 0.33
LRRK2 Q5S007 4/20 0.33
XDH P47989 2/20 0.33
LMNA P02545 1/20 0.33
DRD3 P35462 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
LIMK1 P53667 4/20 0.32
DAPK3 O43293 3/20 0.32
MAP4K4 O95819 3/20 0.32
KDR P35968 3/20 0.32
CSNK1A1 P48729 3/20 0.32
RPS6KA3 P51812 3/20 0.32
CDK5 Q00535 3/20 0.32
AURKB Q96GD4 3/20 0.32
CLK4 Q9HAZ1 3/20 0.32
CHEK1 O14757 2/20 0.32

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
SCHEMBL12170621 0.84
SCHEMBL2665361 0.84 LIMK1 (0.33) RETLIMK1ADORA2AADORA1CDC7
SCHEMBL9942225 0.84 HTT (0.34)
SCHEMBL25057454 0.79 PDPK1 (0.38) RETCSF1R
SCHEMBL12170619 0.79 NUDT1 (0.35) RETLMNA
SCHEMBL19623260 0.79 RET (0.31) RET
SCHEMBL19362553 0.74 PRKD3 (0.36) PI4KAPI4K2BPI4K2API4KBLRRK2
SCHEMBL12854738 0.74 KDM4E (0.37) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL24198438 0.70
SCHEMBL14621102 0.67 NOS2 (0.54) LIMK1TYRO3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3430017-B1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES UNIV CALIFORNIA (US) 2023-01-25 EP disclosed
EP-3153023-B1 BENZOXAZOLE KINASE INHIBITORS AND METHODS OF USE TAKEDA PHARMACEUTICALS CO (JP) 2022-03-16 EP disclosed
WO-2017161344-A1 COMPOSITIONS AND METHODS FOR TREATING PARASITIC DISEASES THE REGANTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-09-21 WO disclosed
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US disclosed
US-20110039868-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2011-02-17 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 (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-20110039868-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LCK, LYN PI4KA 451/4885PI4K2B 390/4885PI4K2A 497/4885

“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.