SCHEMBL10200849

SCHEMBL10200849

Cc1nc2nccc(C)c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
KCNH2 Q12809 1/20 0.41
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
CDK4 P11802 2/20 0.36
CDK2 P24941 2/20 0.36
CCNE1 P24864 1/20 0.36
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35
AURKA O14965 1/20 0.35
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL1892669 0.80 LTA4H (0.42) LTA4HKCNH2CCR1CCR5CCR8
SCHEMBL21206677 0.77 KDR (0.41) LTA4HKCNH2HSD17B10KDM4ECCR1
SCHEMBL13322718 0.77 LTA4H (0.40) LTA4HKCNH2MAPK1AURKANOS3
SCHEMBL13322719 0.77 LTA4H (0.38) LTA4HKCNH2CCR1CCR5CCR8
SCHEMBL21206682 0.74 LTA4H (0.36) LTA4HKCNH2AURKA
SCHEMBL21101382 0.69 CCR1 (0.52) KDM4ECDK4CDK2CCNE1CCR1
SCHEMBL13675199 0.68 CHRM4 (0.39) HSD17B10KDM4EMAPK1CDK4CDK2
SCHEMBL1885425 0.68 CCR1 (0.37) LTA4HKCNH2KDM4ECCR1CCR5
SCHEMBL17339834 0.67 HSD17B10 (0.44) HSD17B10KDM4EMAPK1CDK4CDK2
SCHEMBL10271448 0.67 AHR (0.46) HSD17B10KDM4EMAPK1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070754-A1 JAK INHIBITOR AND USE THEREOF ZHUHAI UNITED LABORATORIES CO., LTD. (CN) 2021-03-11 US disclosed
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests BASF SE (DE) 2012-02-02 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-20210070754-A1 JAK INHIBITOR AND USE THEREOF JAK1, JAK2, TYK2 LTA4H 2196/4885KCNH2 2870/4885HSD17B10 2610/4885
US-20120030841-A1 Isoxazoline compounds for combating invertebrate pests PRDX5, PRDX1, PRDX2 LTA4H 2754/4885KCNH2 1054/4885HSD17B10 2405/4885

“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.