SCHEMBL19898397

SCHEMBL19898397

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 3/20 0.32
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.32
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL19898399 1.00 BTK (0.38) BTKSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL19898635 1.00 BTK (0.38) BTKSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL19898400 1.00 BTK (0.38) BTKSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL19898606 0.84 BTK (0.39) BTKSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL19898603 0.84 BTK (0.39) BTKSMN1; SMN2ALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL19898463 0.83 BTK (0.38) BTKSMN1; SMN2ALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL19898462 0.83 BTK (0.38) BTKSMN1; SMN2ALDH1A1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL19898786 0.83 BTK (0.38) BTKSMN1; SMN2ALDH1A1HPGDL3MBTL1
SCHEMBL10019570 0.74
SCHEMBL8315709 0.74

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 1/4885SMN1; SMN2 2941/4885ALDH1A1 3677/4885
US-20180055846-A1 AMINO-PYRROLOPYRIMIDINONE COMPOUNDS AND METHODS OF USE THEREOF BTK, SYK, LCK BTK 1/4885SMN1; SMN2 2941/4885ALDH1A1 3677/4885

“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.