SCHEMBL29520762

SCHEMBL29520762

Cc1nn(C)c2ccc(C(N)=O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 2/20 0.49
BRD4 O60885 1/20 0.49
BRPF1 P55201 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
CHRM4 P08173 1/20 0.45
KMT2A Q03164 1/20 0.44
NPC1 O15118 4/20 0.44
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
NAMPT P43490 1/20 0.40
QPCT Q16769 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL30987537 0.87 ADORA2A (0.50) ADORA2AADORA2BKDM4EALDH1A1HSD17B10
SCHEMBL22445956 0.87 ADORA2A (0.50) ADORA2AADORA2BKDM4EALDH1A1HSD17B10
SCHEMBL23535727 0.85 HCAR3 (0.55) ADORA2AADORA2BKDM4EALDH1A1HSD17B10
SCHEMBL30040739 0.85 HCAR3 (0.55) ADORA2AADORA2BKDM4EALDH1A1HSD17B10
SCHEMBL14595343 0.85 ADORA2A (0.52) ADORA2AADORA2BKDM4EALDH1A1SMN1; SMN2
SCHEMBL18561359 0.81 ADORA2A (0.47) ADORA2AADORA2BKDM4EALDH1A1HSD17B10
SCHEMBL30506277 0.81 ADORA2A (0.47) ADORA2AADORA2BKDM4EALDH1A1PIM3
SCHEMBL20660789 0.81 ADORA2A (0.47) ADORA2AADORA2BKDM4EALDH1A1PIM3
SCHEMBL20116622 0.81 ADORA2A (0.47) ADORA2AADORA2BKDM4EALDH1A1PIM3
SCHEMBL30987611 0.80 NPC1 (0.47) KDM4EALDH1A1HSD17B10BRD4BRPF1

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-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same 1ST Biotherapeutics, Inc. (KR) 2023-05-16 US disclosed
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME 1ST Biotherapeutics, Inc. 2022-03-31 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-11649255-B2 Indazoles as hematopoietic progenitor kinase 1 (HPK1) inhibitors and methods using same IP6K1, HIPK1, IP6K3 ADORA2A 4139/4885ADORA2B 4371/4885KDM4E 1880/4885
US-20220098193-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS USING SAME IP6K1, HIPK1, IP6K3 ADORA2A 4139/4885ADORA2B 4371/4885KDM4E 1880/4885

“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.