SCHEMBL19686708

SCHEMBL19686708

Cc1ccn(-c2nc(NC3CCC(C(N)=O)CC3)cc(N3CCOCC3)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 2/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SYK P43405 1/20 0.41
GBA1 P04062 3/20 0.40
POLB P06746 1/20 0.40
NUDT1 P36639 1/20 0.40
PIK3CA P42336 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
AURKA O14965 1/20 0.38
RIPK1 Q13546 1/20 0.38
AURKB Q96GD4 1/20 0.38
PRKD1 Q15139 2/20 0.38
PRKD2 Q9BZL6 1/20 0.38

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
SCHEMBL19686716 1.00 ADORA2A (0.46) ADORA2AADORA1GAAALDH1A1KDM4E
SCHEMBL19686709 0.88 ADORA2A (0.42) ADORA2AADORA1GAAALDH1A1KDM4E
SCHEMBL19686702 0.88 PIK3CA (0.51) ADORA2AADORA1GAAALDH1A1KDM4E
SCHEMBL19686381 0.87 ADORA2A (0.43) ADORA2AADORA1GAAALDH1A1KDM4E
SCHEMBL21578586 0.86 HRH4 (0.44) ADORA2AADORA1GAAALDH1A1KDM4E
SCHEMBL19686717 0.84 ADORA2A (0.41) ADORA2AADORA1GAAALDH1A1KDM4E
SCHEMBL19686705 0.84 KDM4E (0.41) ADORA2AADORA1GAAALDH1A1KDM4E
SCHEMBL19686704 0.84 ADORA2A (0.41) ADORA2AADORA1GAAALDH1A1KDM4E
Rimtuzalcap SCHEMBL19686931 0.82 IDH1 (0.43) ADORA2AADORA1GAAALDH1A1KDM4E
Rimtuzalcap SCHEMBL29920754 0.82 IDH1 (0.43) ADORA2AADORA1GAAALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885GAA 1172/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885GAA 1172/4885

“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.