SCHEMBL21396435

SCHEMBL21396435

CC(C)NC(=O)CSc1nc2c(=O)[nH]c(N)nc2n1CCO

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNP P00491 4/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
TK1 P04183 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL21396481 0.88 MEN1 (0.44) PNPALDH1A1SMN1; SMN2TK1CYP3A4
SCHEMBL23921227 0.84 ALDH1A1 (0.47) PNPALDH1A1TSHRTK1CYP3A4
SCHEMBL23921107 0.84 PNP (0.47) PNPALDH1A1TSHRSMN1; SMN2TK1
SCHEMBL21396394 0.83 PNP (0.51) PNPALDH1A1TSHRTK1HPGD
SCHEMBL23921094 0.83 PNP (0.48) PNPALDH1A1TSHRTK1HPGD
SCHEMBL23920989 0.82 ATM (0.46) PNPALDH1A1TSHRSMN1; SMN2CYP3A4
SCHEMBL23921113 0.81 PNP (0.50) PNPALDH1A1TSHRTK1CYP3A4
SCHEMBL23921082 0.81 PKM (0.52) PNPALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL23920795 0.81 PNP (0.52) PNPTSHRTK1
SCHEMBL23920794 0.81 PNP (0.46) PNPALDH1A1TSHRSMN1; SMN2TK1

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-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2023-08-03 US disclosed
US-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES Graybug Vision, Inc. (US) 2022-12-22 US disclosed
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2021-10-14 US disclosed
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2019-09-26 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 (4 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-20230242568-A1 POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PRKAG3 PNP 111/4885ALDH1A1 3952/4885TSHR 2459/4885
US-20220402964-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PDE7A, PDE5A PNP 109/4885ALDH1A1 3111/4885TSHR 1776/4885
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C PNP 100/4885ALDH1A1 3355/4885TSHR 1831/4885
US-20210317156-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PRKG1, PRKG2, PDE7A PNP 106/4885ALDH1A1 3981/4885TSHR 2354/4885

“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.