SCHEMBL18924325

SCHEMBL18924325

CC(C)(C)c1ccnc(CC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
ADRB2 P07550 1/20 0.35
ACHE P22303 2/20 0.34
ALDH1A1 P00352 5/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM2 Q14416 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MBOAT4 Q96T53 1/20 0.33
SOD1 P00441 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 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
SCHEMBL10034535 0.85 KIF11 (0.39) KIF11NOS3NOS2ADRB2ALDH1A1
SCHEMBL16544544 0.82 KDM4E (0.36) KIF11NOS3NOS2ADRB2ACHE
SCHEMBL19214824 0.81 KIF11 (0.37) KIF11NOS3NOS2ALDH1A1POLB
SCHEMBL21923243 0.81 KIF11 (0.39) KIF11NOS3NOS2ADRB2ACHE
SCHEMBL1908532 0.79 POLB (0.46) KIF11NOS3NOS2ALDH1A1POLB
SCHEMBL17109724 0.78 NOS3 (0.48) NOS3NOS2ADRB2ALDH1A1NPSR1
SCHEMBL16544503 0.78 ATM (0.38) KIF11NOS3NOS2ADRB2ALDH1A1
SCHEMBL21475711 0.77 KIF11 (0.41) KIF11ALDH1A1POLBMEN1KMT2A
SCHEMBL18160809 0.77 KIF11 (0.34) KIF11NOS3NOS2ALDH1A1POLB
SCHEMBL16548463 0.77 UHRF1 (0.45) NOS3NOS2ALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-20220402922-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN RESEARCH & DEVELOPMENT, LLC 2022-12-22 US disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 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 (4 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-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 KIF11 4462/4885NOS3 403/4885NOS2 433/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 KIF11 4462/4885NOS3 403/4885NOS2 433/4885
US-20220402922-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 KIF11 4462/4885NOS3 403/4885NOS2 433/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 KIF11 4462/4885NOS3 403/4885NOS2 433/4885

“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.