SCHEMBL30225010

SCHEMBL30225010

Oc1ccc(-c2ccn[nH]2)cc1F

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.71
IDO1 P14902 2/20 0.62
PIM1 P11309 1/20 0.53
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
RIPK1 Q13546 1/20 0.50
SCN4A P35499 2/20 0.47
POLB P06746 1/20 0.47
PTPN11 Q06124 1/20 0.47
TNIK Q9UKE5 1/20 0.46
PDPK1 O15530 1/20 0.46
JAK2 O60674 1/20 0.45
CYP17A1 P05093 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL15327070 0.83 NOTUM (1.00) NOTUMIDO1PIM1SCN4APOLB
SCHEMBL15889913 0.79 NOTUM (0.71) NOTUMIDO1SCN4APOLBPTPN11
SCHEMBL1501861 0.76 IDO1 (1.00) NOTUMIDO1PIM1SCN4ACYP3A4
SCHEMBL20662101 0.76 NOTUM (0.61) NOTUMIDO1SCN4APOLBPTPN11
SCHEMBL8221043 0.75 NOTUM (0.71) NOTUMIDO1SCN4APOLBPTPN11
SCHEMBL8281266 0.75 NOTUM (0.71) NOTUMIDO1SCN4APOLBPTPN11
SCHEMBL30801577 0.75 NOTUM (0.65) NOTUMSCN4APOLBPTPN11CYP17A1
SCHEMBL21414769 0.75 NOTUM (0.65) NOTUMIDO1SCN4APOLBPTPN11
SCHEMBL28799614 0.75 NOTUM (0.65) NOTUMCYP11B1CYP11B2
SCHEMBL27217106 0.75 NOTUM (0.65) NOTUMSCN4APOLBPTPN11CYP17A1

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-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-09 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-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK NOTUM 2557/4885IDO1 2272/4885PIM1 2131/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK NOTUM 2557/4885IDO1 2272/4885PIM1 2131/4885

“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.