SCHEMBL18357995

SCHEMBL18357995

C[C@@H](Oc1cnc2c(n1)c(I)cn2C)c1cc(F)ccc1OCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.33
▸ KAT6A Q92794 1/20 0.33
▸ KAT5 Q92993 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ ALK Q9UM73 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ NTRK1 P04629 1/20 0.30
▸ NTRK3 Q16288 1/20 0.30
▸ NTRK2 Q16620 1/20 0.30

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
SCHEMBL16946794 0.84 RBP4 (0.34) RBP4KAT6AKAT5PDK2P2RX3
SCHEMBL16946750 0.82 NTRK1 (0.37) RBP4PDK2P2RX3NTRK1NTRK3
SCHEMBL16947088 0.78 RBP4 (0.39) RBP4NTRK1NTRK3NTRK2
SCHEMBL18353076 0.76 AAK1 (0.37) RBP4KAT6AKAT5PDK2ALK
SCHEMBL16947094 0.76 AAK1 (0.37) RBP4KAT6AKAT5PDK2ALK
SCHEMBL16946700 0.75 PDK2 (0.43) RBP4KAT6AKAT5PDK2HTR2A
SCHEMBL19631449 0.71 AAK1 (0.34) RBP4
SCHEMBL21601459 0.69 PDK2 (0.47) RBP4PDK2HTR2AHTR2CSLC6A4
SCHEMBL20903440 0.69 RBP4 (0.36) RBP4KAT6AKAT5PDK2HTR2A
SCHEMBL21941201 0.68 PDK2 (0.33) RBP4KAT6AKAT5PDK2HTR2A

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-9714258-B2 Diaryl macrocycles as modulators of protein kinases TP THERAPEUTICS, INC. (US) 2017-07-25 — — US disclosed
US-20170002023-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS, INC. (US) 2017-01-05 — — 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-20170002023-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 RBP4 4739/4885KAT6A 2135/4885KAT5 1604/4885

“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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