SCHEMBL14666993

SCHEMBL14666993

CNc1nc(C(C)C)c2ncccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
NUDT1 P36639 1/20 0.38
TLR8 Q9NR97 6/20 0.38
TLR7 Q9NYK1 3/20 0.38
PIP4K2C Q8TBX8 1/20 0.36
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MMP8 P22894 1/20 0.34
CCR1 P32246 1/20 0.34

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
SCHEMBL16171323 0.78 LMNA (0.42) PRMT5TLR8TLR7PIP4K2CTP53
SCHEMBL14666989 0.78 PRMT5 (0.45) PRMT5TLR8TLR7PIP4K2CTP53
SCHEMBL16541501 0.78 PRMT5 (0.45) PRMT5NUDT1TLR8TLR7TP53
SCHEMBL14666992 0.78 APP (0.49) PIP4K2CMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14667019 0.77 TLR8 (0.52) PRMT5TLR8TLR7LMNA
SCHEMBL14667017 0.77 PRMT5 (0.40) PRMT5TLR8TLR7PIP4K2CTP53
SCHEMBL14667018 0.77 PRMT5 (0.40) PRMT5TLR8TLR7PIP4K2CTP53
SCHEMBL19185191 0.75 APP (0.52) TP53LMNATDP1
SCHEMBL14670848 0.74 PRMT5 (0.38) PRMT5TLR8TLR7PIP4K2CTP53
SCHEMBL13437899 0.71 TLR8 (0.44) PRMT5TLR8TLR7PIP4K2CTP53

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
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 US disclosed
US-8969363-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-03-03 US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 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 (2 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-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PRMT5 2722/4885NUDT1 869/4885TLR8 2316/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PRMT5 2722/4885NUDT1 869/4885TLR8 2316/4885

“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.