SCHEMBL22644367

SCHEMBL22644367

O=C(Nc1ccnc(Cl)c1)[C@H]1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 5/20 0.50
SMARCA4 P51532 4/20 0.50
ULK1 O75385 1/20 0.47
TYK2 P29597 5/20 0.46
JAK2 O60674 4/20 0.46
JAK3 P52333 2/20 0.46
JAK1 P23458 2/20 0.46
CDK9 P50750 1/20 0.46
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ROCK2 O75116 2/20 0.45
DYRK1B Q9Y463 1/20 0.44
ACVRL1 P37023 1/20 0.44

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
SCHEMBL2467865 0.94 ULK1 (0.56) SMARCA2SMARCA4ULK1TYK2JAK2
SCHEMBL2472073 0.92 SMARCA2 (0.52) SMARCA2SMARCA4ULK1TYK2JAK2
SCHEMBL17796425 0.86 TYK2 (0.59) SMARCA2SMARCA4TYK2JAK2JAK3
SCHEMBL22644410 0.82 SMARCA2 (0.52) SMARCA2SMARCA4ULK1TYK2JAK2
SCHEMBL1534438 0.79 NPC1 (0.53) JAK3
SCHEMBL16684845 0.78 ULK1 (0.50) ULK1JAK2JAK3CDK9DYRK1B
SCHEMBL3512760 0.78 TYK2 (0.81) TYK2JAK2JAK3JAK1CDK9
SCHEMBL21670326 0.76 MGLL (0.52) ULK1ROCK2
SCHEMBL22644321 0.76 MALT1 (0.58)
SCHEMBL18094875 0.76 ROCK2 (0.47) ULK1JAK3ROCK2

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
US-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2020-11-12 US disclosed
WO-2020225230-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-11-12 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 (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-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES HDGF, FABP1, NR1H4 SMARCA2 3654/4885SMARCA4 4021/4885ULK1 1282/4885

“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.