SCHEMBL25013443

SCHEMBL25013443

Cc1c[nH]c2cc(Cc3csc4ccccc34)ccc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ CYP2A6 P11509 2/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ TP53 P04637 2/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ SELP P16109 1/20 0.34
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL8821145 0.71 CYP2A6 (0.54) CYP2A6SMN1; SMN2TP53RXFP1HDAC1
SCHEMBL7068604 0.70 CYP2A6 (0.62) CYP2A6SMN1; SMN2TP53RXFP1MEN1
SCHEMBL9001660 0.69 KIF11 (0.49) ATM
SCHEMBL29897762 0.69 GPR84 (0.47) ATM
SCHEMBL21285157 0.69 ESR1 (0.45) ATMMEN1KMT2AALDH1A1
SCHEMBL20932892 0.68 LTA4H (0.51) CYP2A6SMN1; SMN2TP53RXFP1CHRNA7
SCHEMBL154439 0.68 MAPT (0.64) CYP2A6SMN1; SMN2TP53RXFP1HDAC1
SCHEMBL15730167 0.68 ATM (0.47) ATMMEN1KMT2A
SCHEMBL15840846 0.68 ATM (0.47) ATMIDO1
SCHEMBL20751462 0.66 CYP2A6 (0.51) CYP2A6SMN1; SMN2TP53RXFP1CHRNA7

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 ATM 476/4885CYP2A6 4752/4885SMN1; SMN2 3402/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK ATM 476/4885CYP2A6 4752/4885SMN1; SMN2 3402/4885

“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.

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