SCHEMBL23252181

SCHEMBL23252181

O=C1Nc2ccc3scnc3c2/C1=C/c1cnc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 2/20 1.00
▸ TLK2 Q86UE8 14/20 0.69
▸ MAP3K11 Q16584 1/20 0.69
▸ NEK7 Q8TDX7 1/20 0.69
▸ NEK6 Q9HC98 1/20 0.69
▸ CDK5 Q00535 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CDK5R1 Q15078 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ PTK2B Q14289 1/20 0.51
▸ CDK1 P06493 2/20 0.47
▸ RET P07949 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ GSK3A P49840 2/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ CDK7 P50613 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ PDPK1 O15530 2/20 0.47

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
SCHEMBL1395126 0.81 TLK2 (1.00) MELKTLK2MAP3K11NEK7NEK6
SCHEMBL1395124 0.81 TLK2 (1.00) MELKTLK2MAP3K11NEK7NEK6
SCHEMBL2230665 0.81 TLK2 (1.00) MELKTLK2MAP3K11NEK7NEK6
SCHEMBL29908697 0.81 TLK2 (1.00) MELKTLK2MAP3K11NEK7NEK6
SCHEMBL16234139 0.79 TLK2 (0.65) MELKTLK2MAP3K11NEK7NEK6
SCHEMBL16234142 0.74 TLK2 (0.60) MELKTLK2MAP3K11NEK7NEK6
SCHEMBL16234143 0.73 TLK2 (0.64) MELKTLK2MAP3K11NEK7NEK6
SCHEMBL16234144 0.72 TLK2 (0.57) MELKTLK2MAP3K11NEK7NEK6
SCHEMBL16234138 0.72 TLK2 (0.56) MELKTLK2MAP3K11NEK7NEK6
SCHEMBL16234137 0.71 TLK2 (0.55) MELKTLK2MAP3K11NEK7NEK6

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-20210317107-A1 INDOLINONE DERIVATIVES AS INHIBITORS OF MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2021-10-14 — — US disclosed
US-10981896-B2 Indolinone derivatives as inhibitors of maternal embryonic leucine zipper kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-20 — — 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-20210317107-A1 INDOLINONE DERIVATIVES AS INHIBITORS OF MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE MELK, HIPK1, HIPK3 MELK 1/4885TLK2 29/4885MAP3K11 383/4885
US-10981896-B2 Indolinone derivatives as inhibitors of maternal embryonic leucine zipper kinase MELK, HIPK1, HIPK3 MELK 1/4885TLK2 30/4885MAP3K11 372/4885

“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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