SCHEMBL13168059

SCHEMBL13168059

C[C@]12OC(C[C@]1(O)C(=O)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 8/20 1.00
▸ PRKD3 O94806 5/20 1.00
▸ PRKCA P17252 5/20 1.00
▸ PRKCH P24723 5/20 1.00
▸ PRKCI P41743 5/20 1.00
▸ PRKCE Q02156 5/20 1.00
▸ PRKCD Q05655 5/20 1.00
▸ PRKD1 Q15139 5/20 1.00
▸ PRKCG P05129 4/20 1.00
▸ PRKCB P05771 4/20 1.00
▸ PRKCZ Q05513 4/20 1.00
▸ NTRK1 P04629 7/20 0.90
▸ KDR P35968 7/20 0.90
▸ FLT3 P36888 5/20 0.84
▸ MYLK Q15746 4/20 0.84
▸ CDK4 P11802 3/20 0.84
▸ CDK2 P24941 3/20 0.84
▸ MAP3K11 Q16584 3/20 0.84
▸ CAMKK2 Q96RR4 3/20 0.84
▸ DAPK3 O43293 2/20 0.84

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
SCHEMBL14825402 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL29451226 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL16931994 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL3747539 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL29651606 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL14207925 1.00 PRKCQ (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL13246716 0.94 PRKCQ (0.89) PRKCQPRKD3PRKCAPRKCHPRKCI
K-252A SCHEMBL24112155 0.92 NTRK1 (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
K-252A SCHEMBL968886 0.92 NTRK1 (1.00) PRKCQPRKD3PRKCAPRKCHPRKCI
SCHEMBL21132411 0.92 NTRK1 (0.85) PRKCQPRKD3PRKCAPRKCHPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143971-A2 FORMULATIONS FOR DERMAL DELIVERY OF POLYMER CONJUGATES OF INDOLOCARBAZOLE COMPOUNDS WITH REDUCED EXPOSURE SIENNA BIOPHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
US-20100247552-A1 PAK MODULATORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-09-30 — — US disclosed
US-20100247552-A1 PAK MODULATORS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-09-30 — — 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-20100247552-A1 PAK MODULATORS PAK5, PAK1, PAK4 PRKCQ 55/4885PRKD3 113/4885PRKCA 48/4885

“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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