SCHEMBL3767072

SCHEMBL3767072

CO[C@H]1CN(c2ccnc3ccc(-c4cn[nH]c4)cc23)C[C@@H]1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
NCF1 P14598 2/20 0.42
LRRK2 Q5S007 3/20 0.41
ROCK2 O75116 2/20 0.40
ALK Q9UM73 1/20 0.40
GRK2 P25098 6/20 0.40
GRK5 P34947 2/20 0.40
ROCK1 Q13464 2/20 0.40
AURKA O14965 1/20 0.40
PRKCB P05771 1/20 0.40
AKT1 P31749 1/20 0.40
GRK6 P43250 1/20 0.40
CAMK2B Q13554 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
GRK7 Q8WTQ7 1/20 0.40
GRK1 Q15835 1/20 0.40
CLK2 P49760 1/20 0.39

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
Hydrochloric Acid SCHEMBL3848594 0.99 ACVR1 (0.44) ACVR1PIM1PIM3PIM2NCF1
Hydrochloric Acid SCHEMBL3847440 0.84 CHRM4 (0.47) ACVR1PIM1PIM3PIM2NCF1
Hydrochloric Acid SCHEMBL3845869 0.81 DYRK1A (0.55) ACVR1PIM1PIM3PIM2NCF1
SCHEMBL3768024 0.80 NCF1 (0.41) ACVR1PIM1PIM3PIM2NCF1
Hydrochloric Acid SCHEMBL3853325 0.79 NCF1 (0.40) ACVR1PIM1PIM3PIM2NCF1
SCHEMBL30734137 0.77 KCNH2 (0.48) ACVR1PIM1PIM3PIM2NCF1
SCHEMBL3761835 0.77 NCF1 (0.58) ACVR1NCF1
SCHEMBL3768008 0.76 CHRM4 (0.38) PIM1PIM3PIM2NCF1
Hydrochloric Acid SCHEMBL3853437 0.75 CHRM4 (0.38) PIM1PIM3PIM2NCF1
SCHEMBL3846401 0.74 ALK (0.36) ACVR1NCF1LRRK2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS HELPERBY THERAPEUTICS LIMITED (GB) 2010-12-02 US claimed

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-20100305065-A1 USE OF 4-(PYRROLIDIN-1-YL)QUINOLINE COMPOUNDS TO KILL CLINICALLY LATENT MICROORGANISMS ARG1, LPO, CTSL ACVR1 4775/4885PIM1 294/4885PIM3 908/4885

“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.