SCHEMBL19898321

SCHEMBL19898321

C[C@@H](O)C(=O)NC[C@@H]1CC[C@@H](N)CO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMYD3 Q9H7B4 1/20 0.36
HPGD P15428 3/20 0.36
POLB P06746 2/20 0.34
CYP1A2 P05177 1/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 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
SCHEMBL19898323 1.00 BTK (0.38) BTKMEN1KMT2ASMYD3HPGD
SCHEMBL19898456 1.00 BTK (0.38) BTKMEN1KMT2ASMYD3HPGD
SCHEMBL19900497 0.85 MEN1 (0.38) BTKMEN1KMT2ASMYD3
SCHEMBL19898809 0.81 MTNR1A (0.41) BTKMEN1KMT2AHPGDLMNA
Hydrochloric Acid SCHEMBL19898858 0.80 MTNR1A (0.40) BTKMEN1KMT2AHPGDLMNA
SCHEMBL19898261 0.73 BTK (0.42) BTKMEN1KMT2AGAA
SCHEMBL19898893 0.73 BTK (0.42) BTKMEN1KMT2AGAA
SCHEMBL19898263 0.73 BTK (0.42) BTKMEN1KMT2AGAA
SCHEMBL19898635 0.71 BTK (0.38) BTKKMT2ASMYD3HPGDPOLB
SCHEMBL19898397 0.71 BTK (0.38) BTKKMT2ASMYD3HPGDPOLB

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-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof ARQULE, INC. (US) 2021-06-01 US disclosed
EP-3504213-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ArQule, Inc. (US) 2019-07-03 EP disclosed
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 US disclosed
WO-2018039310-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2018-03-01 WO 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 (2 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-11020398-B2 Amino-pyrrolopyrimidinone compounds and methods of use thereof BTK, SYK, LCK BTK 1/4885MEN1 3370/4885KMT2A 2325/4885
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK BTK 1/4885MEN1 3370/4885KMT2A 2325/4885

“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.