SCHEMBL19898809

SCHEMBL19898809

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.41
BTK Q06187 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
FUCA1 P04066 1/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 3/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 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
Hydrochloric Acid SCHEMBL19898858 0.98 MTNR1A (0.40) MTNR1ABTKSMN1; SMN2FUCA1USP2
SCHEMBL19898456 0.81 BTK (0.38) BTKSMN1; SMN2USP2HPGDMEN1
SCHEMBL19898323 0.81 BTK (0.38) BTKSMN1; SMN2USP2HPGDMEN1
SCHEMBL19898321 0.81 BTK (0.38) BTKSMN1; SMN2USP2HPGDMEN1
SCHEMBL31677770 0.77
SCHEMBL2863034 0.77
SCHEMBL4663635 0.77
SCHEMBL19900716 0.76 BTK (0.43) MTNR1ABTKSMN1; SMN2FUCA1USP2
SCHEMBL1101625 0.73 SMN1; SMN2 (0.64) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL12409354 0.73 SMN1; SMN2 (0.64) SMN1; SMN2USP2HPGDTP53ALOX12

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 7 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
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
WO-2018039310-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2018-03-01 WO disclosed
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 US disclosed
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 US disclosed
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. 2018-03-01 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 (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 MTNR1A 2852/4885BTK 1/4885SMN1; SMN2 2941/4885
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK MTNR1A 2852/4885BTK 1/4885SMN1; SMN2 2941/4885

“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.