SCHEMBL24322279

SCHEMBL24322279

Cc1cccc(C(=O)Cc2ccnc3ccc(F)cc23)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.39
CLK2 P49760 1/20 0.39
ACVR1 Q04771 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
TGFBR1 P36897 1/20 0.39
CCNC P24863 1/20 0.38
P2RX7 Q99572 1/20 0.38
GRM5 P41594 1/20 0.38
DHODH Q02127 6/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDGFRB P09619 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6671176 0.92 NPC1 (0.40) CDK8CLK2ACVR1CLK4DYRK1B
SCHEMBL5234890 0.87 P2RX7 (0.39) CDK8ACVR1P2RX7GRM5NPC1
SCHEMBL31461243 0.86 ALDH1A1 (0.39) TGFBR1P2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL3747756 0.86 ALDH1A1 (0.39) TGFBR1P2RX7NPC1RAB9ASMN1; SMN2
SCHEMBL5239692 0.85 TGFBR1 (0.41) CDK8CLK2ACVR1CLK4TGFBR1
SCHEMBL5235225 0.85 CYP1A2 (0.49) TGFBR1P2RX7GRM5RAB9ASMN1; SMN2
SCHEMBL29959459 0.85 CYP1A2 (0.49) TGFBR1P2RX7GRM5RAB9ASMN1; SMN2
SCHEMBL31461239 0.84 MTNR1A (0.52) TGFBR1POLBKDM4EHSD17B10PDGFRB
SCHEMBL23851296 0.84 MTNR1A (0.52) TGFBR1POLBKDM4EHSD17B10PDGFRB
SCHEMBL985121 0.83 GRM5 (0.43) CDK8TGFBR1CCNCP2RX7GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 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-20220089600-A1 TGFß INHIBITOR AND PRODRUGS TGFB1, TGFBR1, TGFBR2 CDK8 1517/4885CLK2 3815/4885ACVR1 8/4885

“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.