SCHEMBL4569355

SCHEMBL4569355

Nc1nccnc1C(=O)Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 8/20 0.47
ATR Q13535 1/20 0.47
GRM5 P41594 1/20 0.44
TLR7 Q9NYK1 3/20 0.41
NAPRT Q6XQN6 1/20 0.38
GBA1 P04062 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
VCP P55072 1/20 0.35

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
SCHEMBL698878 0.87 TSHR (0.37) PRKCIATRGRM5TLR7NAPRT
SCHEMBL27669301 0.80 PRKCI (0.50) PRKCIATRGRM5TLR7NAPRT
SCHEMBL30065824 0.78 PRKCI (0.48) PRKCIATRGRM5TLR7NAPRT
SCHEMBL29578557 0.78 ATR (0.53) PRKCIATRGRM5TLR7NAPRT
SCHEMBL20853598 0.78 PRKCI (0.48) PRKCIATRGRM5TLR7NAPRT
SCHEMBL1097431 0.78 PRKCI (0.48) PRKCIATRGRM5TLR7NAPRT
SCHEMBL65106 0.78 ATR (0.53) PRKCIATRGRM5TLR7NAPRT
SCHEMBL13697278 0.78 PDE3B (0.39) PRKCIATRGRM5L3MBTL1KDM4E
SCHEMBL24845445 0.76 PRKCI (0.39) PRKCIATRGRM5TLR7GBA1
SCHEMBL3292931 0.76 PRKCI (0.47) PRKCIATRGRM5TLR7NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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 (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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PRKCI 117/4885ATR 669/4885GRM5 2952/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PRKCI 117/4885ATR 669/4885GRM5 2952/4885

“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.