SCHEMBL24222727

SCHEMBL24222727

CC(C)(C)c1nc(Br)nc2c1sc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.45
▸ TNKS2 Q9H2K2 2/20 0.45
▸ PIM1 P11309 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ HRH4 Q9H3N8 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ KRAS P01116 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EGFR P00533 4/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GPR3 P46089 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL19162624 0.83 TNKS (0.46) TNKSTNKS2PIM1PIM2LIMK1
SCHEMBL25817310 0.83 TNKS (0.46) TNKSTNKS2PIM1PIM2LIMK1
SCHEMBL25016499 0.82 TNKS (0.45) TNKSTNKS2PIM1PIM2LIMK1
SCHEMBL19162691 0.79 TNKS (0.46) TNKSTNKS2PIM1PIM2LIMK1
SCHEMBL19161954 0.77 TNKS (0.47) TNKSTNKS2PIM1PIM2LIMK1
SCHEMBL17022506 0.76 LIMK1 (0.41) TNKSTNKS2PIM1PIM2LIMK1
SCHEMBL19161622 0.76 TNKS (0.41) TNKSTNKS2PIM1PIM2LIMK1
SCHEMBL14090701 0.75 LIMK1 (0.59) TNKSTNKS2LIMK1CDK5CDK5R1
SCHEMBL19161277 0.74 TNKS (0.45) TNKSTNKS2PIM1PIM2LIMK1
SCHEMBL17695023 0.74 TNKS (0.40) TNKSTNKS2PIM1PIM2LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024948-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-01-27 — — 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 (1 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-20220024948-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 TNKS 3196/4885TNKS2 3819/4885PIM1 849/4885

“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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