SCHEMBL20064676

SCHEMBL20064676

Nc1cc(-c2ccc(Br)nc2)[nH]n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
USP2 O75604 1/20 0.66
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
DYRK1A Q13627 2/20 0.51
MITF O75030 1/20 0.51
TP53 P04637 1/20 0.51
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
GFER P55789 1/20 0.49
LTA4H P09960 1/20 0.47
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
PDPK1 O15530 1/20 0.41
KDR P35968 3/20 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
SCHEMBL1858407 0.81 SMN1; SMN2 (0.64) ALDH1A1KMT2AMEN1USP2MKNK1
SCHEMBL13815700 0.79 KMT2A (1.00) ALDH1A1KMT2AMEN1USP2MKNK1
SCHEMBL14910944 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1USP2MKNK1
SCHEMBL28573902 0.75 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1USP2MKNK1
Hydrochloric Acid SCHEMBL25188562 0.73 MEN1 (0.36) ALDH1A1KMT2AMEN1USP2DYRK1A
SCHEMBL6956022 0.72 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1USP2MKNK1
SCHEMBL1662946 0.72 SMN1; SMN2 (1.00) ALDH1A1KMT2AMEN1USP2MKNK1
SCHEMBL1702207 0.72 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1USP2MKNK1
SCHEMBL2303414 0.72 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1USP2MKNK1
SCHEMBL5630086 0.72 MKNK1 (1.00) ALDH1A1KMT2AMEN1USP2MKNK1

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
EP-3288942-B1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-10-27 EP disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885KMT2A 4144/4885MEN1 4788/4885

“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.