SCHEMBL21598652

SCHEMBL21598652

Nc1ncc(C(F)(F)F)c(I)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.36
ULK1 O75385 1/20 0.31
ATR Q13535 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AURKA O14965 1/20 0.30
KDR P35968 1/20 0.30
AURKB Q96GD4 1/20 0.30
RPS6KA5 O75582 1/20 0.30

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
SCHEMBL31214200 0.82 ULK1 (0.33) PIK3CDULK1ATRPOLBAURKA
SCHEMBL21606876 0.77 PIK3CD (0.36) PIK3CDKDM4EALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL27573305 0.76 PIK3CD (0.35) PIK3CDAURKAKDRAURKB
SCHEMBL22832019 0.74 ABL1 (0.32)
SCHEMBL22831886 0.73 DYRK1A (0.38)
SCHEMBL19837344 0.68 AURKA (0.43) PIK3CDULK1AURKAKDRAURKB
SCHEMBL20088854 0.68 NOS2 (0.39) PIK3CDPOLB
SCHEMBL21792331 0.68 NOTUM (0.46) KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL503280 0.68 IDO1 (0.43) PIK3CDPOLB
SCHEMBL6739131 0.68 PIK3CD (0.45) PIK3CDKDM4EALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220106296-A1 CYANOTRIAZOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2022-04-07 US disclosed
EP-3810598-A1 CYANOTRIAZOLE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2021-04-28 EP disclosed
WO-2019244049-A1 CYANOTRIAZOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-12-26 WO disclosed
WO-2019244049-A1 CYANOTRIAZOLE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-12-26 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 (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-20220106296-A1 CYANOTRIAZOLE COMPOUNDS AND USES THEREOF CBR3, HCRTR1, CYP4F11 PIK3CD 4365/4885ULK1 4655/4885ATR 1029/4885

“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.