SCHEMBL16978730

SCHEMBL16978730

c1ccc(-c2ccc3sc4c5cc6cc7sc8c9cc(-c%10ccccc%10)ccc9sc8c7cc6cc5sc4c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 2/20 0.50
▸ PIM1 P11309 4/20 0.43
▸ PIM3 Q86V86 3/20 0.43
▸ PIM2 Q9P1W9 3/20 0.43
▸ ROCK1 Q13464 1/20 0.41
▸ F9 P00740 2/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ TRIM58 Q8NG06 1/20 0.37
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ ALOX5 P09917 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL16978724 0.95 LIMK1 (0.47) LIMK1PIM1PIM3PIM2ROCK1
SCHEMBL24619638 0.91 LIMK1 (0.54) LIMK1PIM1PIM3PIM2ROCK1
SCHEMBL753398 0.91 LIMK1 (0.54) LIMK1PIM1PIM3PIM2ROCK1
SCHEMBL17037070 0.91 LIMK1 (0.57) LIMK1PIM1PIM3PIM2ROCK1
SCHEMBL16672063 0.89 ESR1 (0.47) LIMK1PIM1PIM3PIM2F9
SCHEMBL16978720 0.89 LIMK1 (0.50) LIMK1PIM1PIM3PIM2F9
SCHEMBL16672064 0.89 ESR1 (0.47) LIMK1PIM1PIM3PIM2F9
SCHEMBL25042118 0.89 ESR1 (0.47) LIMK1PIM1PIM3PIM2F9
SCHEMBL19916761 0.88 LIMK1 (0.42) LIMK1PIM1PIM3PIM2ROCK1
SCHEMBL19916732 0.88 LIMK1 (0.42) LIMK1PIM1PIM3PIM2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187493-B2 Heterocyclic compound and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-11-17 — — US disclosed
US-9187493-B2 Heterocyclic compound and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-11-17 — — US disclosed
US-20150218185-A1 Heterocyclic Compound And Use Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-06 — — US disclosed
US-20150218185-A1 Heterocyclic Compound And Use Thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-08-06 — — 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-20150218185-A1 Heterocyclic Compound And Use Thereof CCNE1, CRY1, CCNE2 LIMK1 1164/4885PIM1 2336/4885PIM3 3533/4885

“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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