SCHEMBL20053566

SCHEMBL20053566

C[C@H](NC(=O)C1=C(N[C@@H](C)c2ccccc2)CNCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.45
▸ HPGD P15428 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL20145796 0.81 ALOX5 (0.49) ALDH1A1KDM4ELMNANPC1TDP1
SCHEMBL22240437 0.81 ALOX5 (0.49) ALDH1A1KDM4ELMNANPC1TDP1
SCHEMBL8270258 0.81 ALOX5 (0.49) ALDH1A1KDM4ELMNANPC1TDP1
SCHEMBL25668462 0.78 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL3861132 0.77 MAPT (0.41) ALDH1A1HPGDLMNATDP1
SCHEMBL10305737 0.76 RECQL (0.44) ALDH1A1HPGDKDM4ELMNAHSD17B10
SCHEMBL22240503 0.75 TAAR1 (0.38) ALDH1A1HPGDKDM4ELMNATDP1
SCHEMBL1044302 0.68 CYP2D6 (0.49) ALDH1A1KDM4ELMNANPC1RECQL
SCHEMBL6725960 0.68 CYP2D6 (0.49) ALDH1A1KDM4ELMNANPC1RECQL
SCHEMBL6719047 0.68 CYP2D6 (0.46) KDM4ELMNAHSD17B10NPC1RECQL

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-20190047986-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-02-14 — — US disclosed
US-9944622-B2 Pyrimidinyl tyrosine kinase inhibitors BIOGEN MA INC. (US) 2018-04-17 — — 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-20190047986-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS ABL1, BTK, ABL2 ALDH1A1 3713/4885HPGD 3714/4885KDM4E 1291/4885

“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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